2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C23H29ClN4O4S — CID 170902114

IUPAC2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C23H29ClN4O4S/c1-17-3-6-20(15-18(17)2)26-22(29)16-27-11-13-28(14-12-27)23(30)9-10-25-33(31,32)21-7-4-19(24)5-8-21/h3-8,15,25H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyFCBKNXQTTKQXHB-UHFFFAOYSA-N
MW493.03 g/mol
LogP2.41
Rot. Bonds8

About 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 170902114) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID170902114
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C23H29ClN4O4S/c1-17-3-6-20(15-18(17)2)26-22(29)16-27-11-13-28(14-12-27)23(30)9-10-25-33(31,32)21-7-4-19(24)5-8-21/h3-8,15,25H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyFCBKNXQTTKQXHB-UHFFFAOYSA-N
XLogP2.41
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547646
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
N-(2-ethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547654
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
4-chloro-N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24548002
4-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24643461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 170902114) is 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is FCBKNXQTTKQXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-17-3-6-20(15-18(17)2)26-22(29)16-27-11-13-28(14-12-27)23(30)9-10-25-33(31,32)21-7-4-19(24)5-8-21/h3-8,15,25H,9-14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 493.03 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(4-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 170902114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).