1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide

C19H23N3O4S2 — CID 56501029

IUPAC1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(N)=O)c1C
InChIInChI=1S/C19H23N3O4S2/c1-12-13(2)27-19(16(12)17(20)23)21-18(24)14-8-10-22(11-9-14)28(25,26)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDOKBCZYWRRODQN-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.50
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide (PubChem CID 56501029) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
PubChem CID56501029
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(N)=O)c1C
InChIInChI=1S/C19H23N3O4S2/c1-12-13(2)27-19(16(12)17(20)23)21-18(24)14-8-10-22(11-9-14)28(25,26)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDOKBCZYWRRODQN-UHFFFAOYSA-N
XLogP2.50
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 55732866
1-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 18589778
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 26901059
methyl 4,5-dimethyl-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 16550370
methyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41100151
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide (CID 56501029) is 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide is Cc1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(N)=O)c1C.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide?
The InChIKey is DOKBCZYWRRODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-12-13(2)27-19(16(12)17(20)23)21-18(24)14-8-10-22(11-9-14)28(25,26)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56501029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).