N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

C25H34N4O5S2 — CID 4143732

IUPACN-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCCCN1CCC(N(C2CC2)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C25H34N4O5S2/c1-3-16-28-17-14-23(15-18-28)29(22-8-9-22)36(33,34)25-12-6-21(7-13-25)27-35(31,32)24-10-4-20(5-11-24)26-19(2)30/h4-7,10-13,22-23,27H,3,8-9,14-18H2,1-2H3,(H,26,30)
InChIKeyAUAJHXWNWKTDIY-UHFFFAOYSA-N
MW534.70 g/mol
LogP3.47
Rot. Bonds10

About N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 4143732) has the molecular formula C25H34N4O5S2 and a molecular weight of 534.70 g/mol. Its IUPAC name is N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID4143732
Molecular FormulaC25H34N4O5S2
Molecular Weight534.70 g/mol
Exact Mass534.20
IUPAC NameN-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCCCN1CCC(N(C2CC2)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C25H34N4O5S2/c1-3-16-28-17-14-23(15-18-28)29(22-8-9-22)36(33,34)25-12-6-21(7-13-25)27-35(31,32)24-10-4-20(5-11-24)26-19(2)30/h4-7,10-13,22-23,27H,3,8-9,14-18H2,1-2H3,(H,26,30)
InChIKeyAUAJHXWNWKTDIY-UHFFFAOYSA-N
XLogP3.47
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.70
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
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CID 112980678
N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 55628674
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-[(dimethylamino)methyl]-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071234
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-methylsulfamoyl]phenyl]acetamide
CID 6734872
4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071474

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (CID 4143732) is N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is CCCN1CCC(N(C2CC2)S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1.
What is the InChIKey of N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is AUAJHXWNWKTDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5S2/c1-3-16-28-17-14-23(15-18-28)29(22-8-9-22)36(33,34)25-12-6-21(7-13-25)27-35(31,32)24-10-4-20(5-11-24)26-19(2)30/h4-7,10-13,22-23,27H,3,8-9,14-18H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 534.70 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4143732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).