1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide

C24H26N2O4S — CID 55668767

IUPAC1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C24H26N2O4S/c1-19-11-13-21(14-12-19)26(18-22-8-6-16-30-22)24(27)20-7-5-15-25(17-20)31(28,29)23-9-3-2-4-10-23/h2-4,6,8-14,16,20H,5,7,15,17-18H2,1H3
InChIKeyXCEIMLYGBADQGD-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.22
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 55668767) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID55668767
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C24H26N2O4S/c1-19-11-13-21(14-12-19)26(18-22-8-6-16-30-22)24(27)20-7-5-15-25(17-20)31(28,29)23-9-3-2-4-10-23/h2-4,6,8-14,16,20H,5,7,15,17-18H2,1H3
InChIKeyXCEIMLYGBADQGD-UHFFFAOYSA-N
XLogP4.22
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862703
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862683
1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 16862751
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863539
N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16863606
N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43043853
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863584
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 42933337
(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 25496863
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863530

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide (CID 55668767) is 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(N(Cc2ccco2)C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is XCEIMLYGBADQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-19-11-13-21(14-12-19)26(18-22-8-6-16-30-22)24(27)20-7-5-15-25(17-20)31(28,29)23-9-3-2-4-10-23/h2-4,6,8-14,16,20H,5,7,15,17-18H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55668767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).