N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide

C22H27N3O4S2 — CID 26052004

IUPACN-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(NC(=O)C4CC4)cc3C)CC2)cc1C
InChIInChI=1S/C22H27N3O4S2/c1-14-4-7-18(12-15(14)2)31(28,29)25-10-8-24(9-11-25)22(27)20-16(3)13-19(30-20)23-21(26)17-5-6-17/h4,7,12-13,17H,5-6,8-11H2,1-3H3,(H,23,26)
InChIKeyCJMVJAGGWDRWDE-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.17
Rot. Bonds5

About N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide

N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide (PubChem CID 26052004) has the molecular formula C22H27N3O4S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
PubChem CID26052004
Molecular FormulaC22H27N3O4S2
Molecular Weight461.61 g/mol
Exact Mass461.14
IUPAC NameN-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(NC(=O)C4CC4)cc3C)CC2)cc1C
InChIInChI=1S/C22H27N3O4S2/c1-14-4-7-18(12-15(14)2)31(28,29)25-10-8-24(9-11-25)22(27)20-16(3)13-19(30-20)23-21(26)17-5-6-17/h4,7,12-13,17H,5-6,8-11H2,1-3H3,(H,23,26)
InChIKeyCJMVJAGGWDRWDE-UHFFFAOYSA-N
XLogP3.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 43041317
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
1-(3,4-dimethylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919419
N-[5-(1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 75373415
N-[4-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 16961757
N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 78840221
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 26901059
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
(3,6-dichloro-1-benzothiophen-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 22772714

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide (CID 26052004) is N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(NC(=O)C4CC4)cc3C)CC2)cc1C.
What is the InChIKey of N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is CJMVJAGGWDRWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S2/c1-14-4-7-18(12-15(14)2)31(28,29)25-10-8-24(9-11-25)22(27)20-16(3)13-19(30-20)23-21(26)17-5-6-17/h4,7,12-13,17H,5-6,8-11H2,1-3H3,(H,23,26).
What are the key properties of N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 461.61 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 26052004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).