N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

C29H34N4O4S — CID 132685123

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H34N4O4S/c1-22(24-6-4-3-5-7-24)31-38(36,37)27-15-8-23(9-16-27)10-17-28(34)30-26-13-11-25(12-14-26)29(35)33-20-18-32(2)19-21-33/h3-9,11-16,22,31H,10,17-21H2,1-2H3,(H,30,34)
InChIKeyKCYILWCAGQLOLM-UHFFFAOYSA-N
MW534.68 g/mol
LogP3.68
Rot. Bonds9

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 132685123) has the molecular formula C29H34N4O4S and a molecular weight of 534.68 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID132685123
Molecular FormulaC29H34N4O4S
Molecular Weight534.68 g/mol
Exact Mass534.23
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H34N4O4S/c1-22(24-6-4-3-5-7-24)31-38(36,37)27-15-8-23(9-16-27)10-17-28(34)30-26-13-11-25(12-14-26)29(35)33-20-18-32(2)19-21-33/h3-9,11-16,22,31H,10,17-21H2,1-2H3,(H,30,34)
InChIKeyKCYILWCAGQLOLM-UHFFFAOYSA-N
XLogP3.68
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.68
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968168
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
N-[4-(cyanomethyl)phenyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 100796380
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 99968197
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
(2S)-2-(benzenesulfonamido)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 99967641
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 2947595
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 1304672

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (CID 132685123) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is CC(NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is KCYILWCAGQLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4S/c1-22(24-6-4-3-5-7-24)31-38(36,37)27-15-8-23(9-16-27)10-17-28(34)30-26-13-11-25(12-14-26)29(35)33-20-18-32(2)19-21-33/h3-9,11-16,22,31H,10,17-21H2,1-2H3,(H,30,34).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 534.68 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 132685123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).