1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C25H25N3O4S2 — CID 16862683

IUPAC1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cccc2sc(N(Cc3ccco3)C(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)nc12
InChIInChI=1S/C25H25N3O4S2/c1-18-8-5-13-22-23(18)26-25(33-22)28(17-20-10-7-15-32-20)24(29)19-9-6-14-27(16-19)34(30,31)21-11-3-2-4-12-21/h2-5,7-8,10-13,15,19H,6,9,14,16-17H2,1H3
InChIKeyYYGHUDDMPMSCIR-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.83
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16862683) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID16862683
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC Name1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cccc2sc(N(Cc3ccco3)C(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)nc12
InChIInChI=1S/C25H25N3O4S2/c1-18-8-5-13-22-23(18)26-25(33-22)28(17-20-10-7-15-32-20)24(29)19-9-6-14-27(16-19)34(30,31)21-11-3-2-4-12-21/h2-5,7-8,10-13,15,19H,6,9,14,16-17H2,1H3
InChIKeyYYGHUDDMPMSCIR-UHFFFAOYSA-N
XLogP4.83
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 16862751
N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16863606
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863539
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862703
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863530
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863584
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
1-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16863715
1-(benzenesulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862602
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863476
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863479
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 44948974

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 16862683) is 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is Cc1cccc2sc(N(Cc3ccco3)C(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)nc12.
What is the InChIKey of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is YYGHUDDMPMSCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-18-8-5-13-22-23(18)26-25(33-22)28(17-20-10-7-15-32-20)24(29)19-9-6-14-27(16-19)34(30,31)21-11-3-2-4-12-21/h2-5,7-8,10-13,15,19H,6,9,14,16-17H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16862683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).