N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide

C24H26ClN3O3S2 — CID 22422642

IUPACN-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C24H26ClN3O3S2/c1-18-9-10-20(25)17-22(18)27-11-13-28(14-12-27)24(29)21(16-19-6-3-2-4-7-19)26-33(30,31)23-8-5-15-32-23/h2-10,15,17,21,26H,11-14,16H2,1H3
InChIKeyYONXHKOCDRAELN-UHFFFAOYSA-N
MW504.08 g/mol
LogP3.95
Rot. Bonds7

About N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide

N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (PubChem CID 22422642) has the molecular formula C24H26ClN3O3S2 and a molecular weight of 504.08 g/mol. Its IUPAC name is N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
PubChem CID22422642
Molecular FormulaC24H26ClN3O3S2
Molecular Weight504.08 g/mol
Exact Mass503.11
IUPAC NameN-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C24H26ClN3O3S2/c1-18-9-10-20(25)17-22(18)27-11-13-28(14-12-27)24(29)21(16-19-6-3-2-4-7-19)26-33(30,31)23-8-5-15-32-23/h2-10,15,17,21,26H,11-14,16H2,1H3
InChIKeyYONXHKOCDRAELN-UHFFFAOYSA-N
XLogP3.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.08
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862792
N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 43889005
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291877
2,5-dichloro-N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862795
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 43888907
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422656
2,5-dichloro-N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862790
N-(3-chlorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15995135
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
3-chloro-N-[(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-methoxybenzenesulfonamide
CID 94862849
2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30142830

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (CID 22422642) is N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is Cc1ccc(Cl)cc1N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is YONXHKOCDRAELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S2/c1-18-9-10-20(25)17-22(18)27-11-13-28(14-12-27)24(29)21(16-19-6-3-2-4-7-19)26-33(30,31)23-8-5-15-32-23/h2-10,15,17,21,26H,11-14,16H2,1H3.
What are the key properties of N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 504.08 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22422642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).