N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C21H26N2O3S2 — CID 655345

IUPACN-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3cccs3)C3CC3)C2)cc1
InChIInChI=1S/C21H26N2O3S2/c1-16-6-10-20(11-7-16)28(25,26)22-12-2-4-17(14-22)21(24)23(18-8-9-18)15-19-5-3-13-27-19/h3,5-7,10-11,13,17-18H,2,4,8-9,12,14-15H2,1H3
InChIKeyBCQUFYXDPPNXHN-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.65
Rot. Bonds6

About N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 655345) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID655345
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC NameN-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3cccs3)C3CC3)C2)cc1
InChIInChI=1S/C21H26N2O3S2/c1-16-6-10-20(11-7-16)28(25,26)22-12-2-4-17(14-22)21(24)23(18-8-9-18)15-19-5-3-13-27-19/h3,5-7,10-11,13,17-18H,2,4,8-9,12,14-15H2,1H3
InChIKeyBCQUFYXDPPNXHN-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775
2-{[1-(Thien-2-ylsulfonyl)piperidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3236597
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 5308267
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2999692
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(thien-2-ylmethyl)cyclohexanecarboxamide
CID 5096183
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 16326897
1-[4-(4-Propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 24979939
4-[4-(Thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164620879
4-[4-(3-Methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164625405

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 655345) is N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3cccs3)C3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is BCQUFYXDPPNXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c1-16-6-10-20(11-7-16)28(25,26)22-12-2-4-17(14-22)21(24)23(18-8-9-18)15-19-5-3-13-27-19/h3,5-7,10-11,13,17-18H,2,4,8-9,12,14-15H2,1H3.
What are the key properties of N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 655345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).