4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide

C23H29ClN4O4S — CID 55794689

IUPAC4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O4S/c1-17(2)26(3)22(29)19-6-4-18(5-7-19)16-25-23(30)27-12-14-28(15-13-27)33(31,32)21-10-8-20(24)9-11-21/h4-11,17H,12-16H2,1-3H3,(H,25,30)
InChIKeyQKCPWVHSSINUSE-UHFFFAOYSA-N
MW493.03 g/mol
LogP3.04
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide

4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 55794689) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID55794689
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O4S/c1-17(2)26(3)22(29)19-6-4-18(5-7-19)16-25-23(30)27-12-14-28(15-13-27)33(31,32)21-10-8-20(24)9-11-21/h4-11,17H,12-16H2,1-3H3,(H,25,30)
InChIKeyQKCPWVHSSINUSE-UHFFFAOYSA-N
XLogP3.04
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfonyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 55795812
N-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 2208118
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794432
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55928870
4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
CID 108899617
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]amino]butanoic acid
CID 122021772
N-benzyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8743683
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 8638842
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide (CID 55794689) is 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide is CC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is QKCPWVHSSINUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-17(2)26(3)22(29)19-6-4-18(5-7-19)16-25-23(30)27-12-14-28(15-13-27)33(31,32)21-10-8-20(24)9-11-21/h4-11,17H,12-16H2,1-3H3,(H,25,30).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 493.03 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55794689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).