N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide

C99H118N18O16S4 — CID 158321550

IUPACN-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O.O=C(NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O)c1ccccc1.O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1CCNS(=O)(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C34H38N6O5S.C33H38N6O6S2.C32H42N6O5S/c41-32(27-13-6-2-7-14-27)36-20-24-39-31(33(42)37-22-18-35-19-23-37)30(26-11-4-1-5-12-26)40(34(39)43)28-15-10-21-38(25-28)46(44,45)29-16-8-3-9-17-29;40-32(36-22-18-34-19-23-36)31-30(26-11-4-1-5-12-26)39(27-13-10-21-37(25-27)47(44,45)29-16-8-3-9-17-29)33(41)38(31)24-20-35-46(42,43)28-14-6-2-7-15-28;1-24(2)22-28(39)34-17-21-37-30(31(40)35-19-15-33-16-20-35)29(25-10-5-3-6-11-25)38(32(37)41)26-12-9-18-36(23-26)44(42,43)27-13-7-4-8-14-27/h1-9,11-14,16-17,28,35H,10,15,18-25H2,(H,36,41);1-9,11-12,14-17,27,34-35H,10,13,18-25H2;3-8,10-11,13-14,24,26,33H,9,12,15-23H2,1-2H3,(H,34,39)
InChIKeyGOXHTAGFIFXMQA-UHFFFAOYSA-N
MW1944.41 g/mol
LogP7.73
Rot. Bonds29

About N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide

N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide (PubChem CID 158321550) has the molecular formula C99H118N18O16S4 and a molecular weight of 1944.41 g/mol. Its IUPAC name is N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
PubChem CID158321550
Molecular FormulaC99H118N18O16S4
Molecular Weight1944.41 g/mol
Exact Mass1942.79
IUPAC NameN-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O.O=C(NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O)c1ccccc1.O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1CCNS(=O)(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C34H38N6O5S.C33H38N6O6S2.C32H42N6O5S/c41-32(27-13-6-2-7-14-27)36-20-24-39-31(33(42)37-22-18-35-19-23-37)30(26-11-4-1-5-12-26)40(34(39)43)28-15-10-21-38(25-28)46(44,45)29-16-8-3-9-17-29;40-32(36-22-18-34-19-23-36)31-30(26-11-4-1-5-12-26)39(27-13-10-21-37(25-27)47(44,45)29-16-8-3-9-17-29)33(41)38(31)24-20-35-46(42,43)28-14-6-2-7-15-28;1-24(2)22-28(39)34-17-21-37-30(31(40)35-19-15-33-16-20-35)29(25-10-5-3-6-11-25)38(32(37)41)26-12-9-18-36(23-26)44(42,43)27-13-7-4-8-14-27/h1-9,11-14,16-17,28,35H,10,15,18-25H2,(H,36,41);1-9,11-12,14-17,27,34-35H,10,13,18-25H2;3-8,10-11,13-14,24,26,33H,9,12,15-23H2,1-2H3,(H,34,39)
InChIKeyGOXHTAGFIFXMQA-UHFFFAOYSA-N
XLogP7.73
TPSA394.32 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.41
LogP ≤ 57.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide with MolForge

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Related Compounds

2-[3-[[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]-N-methylacetamide
CID 59292456
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
CID 159143004
N-[3-[3-(1-acetylpiperidin-3-yl)-4-cyclohexa-1,5-dien-1-yl-2-oxo-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 70293522
1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 161269852
1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 143725207
2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
CID 59292687
4-methoxy-N-[3-[3-(3-morpholin-4-ylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 59292715
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901348
1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
CID 143725255
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 59292380

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide (CID 158321550) is N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O.O=C(NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O)c1ccccc1.O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1CCNS(=O)(=O)c1ccccc1)N1CCNCC1.
What is the InChIKey of N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
The InChIKey is GOXHTAGFIFXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O5S.C33H38N6O6S2.C32H42N6O5S/c41-32(27-13-6-2-7-14-27)36-20-24-39-31(33(42)37-22-18-35-19-23-37)30(26-11-4-1-5-12-26)40(34(39)43)28-15-10-21-38(25-28)46(44,45)29-16-8-3-9-17-29;40-32(36-22-18-34-19-23-36)31-30(26-11-4-1-5-12-26)39(27-13-10-21-37(25-27)47(44,45)29-16-8-3-9-17-29)33(41)38(31)24-20-35-46(42,43)28-14-6-2-7-15-28;1-24(2)22-28(39)34-17-21-37-30(31(40)35-19-15-33-16-20-35)29(25-10-5-3-6-11-25)38(32(37)41)26-12-9-18-36(23-26)44(42,43)27-13-7-4-8-14-27/h1-9,11-14,16-17,28,35H,10,15,18-25H2,(H,36,41);1-9,11-12,14-17,27,34-35H,10,13,18-25H2;3-8,10-11,13-14,24,26,33H,9,12,15-23H2,1-2H3,(H,34,39).
What are the key properties of N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide has a molecular weight of 1944.41 g/mol, XLogP of 7.73, 29 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 158321550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).