1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C25H24ClN3O4S2 — CID 16862751

IUPAC1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)nc12
InChIInChI=1S/C25H24ClN3O4S2/c1-17-11-12-21(26)23-22(17)27-25(34-23)29(16-19-8-6-14-33-19)24(30)18-7-5-13-28(15-18)35(31,32)20-9-3-2-4-10-20/h2-4,6,8-12,14,18H,5,7,13,15-16H2,1H3
InChIKeyOBTOLVXNFZSZDO-UHFFFAOYSA-N
MW530.07 g/mol
LogP5.49
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 16862751) has the molecular formula C25H24ClN3O4S2 and a molecular weight of 530.07 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID16862751
Molecular FormulaC25H24ClN3O4S2
Molecular Weight530.07 g/mol
Exact Mass529.09
IUPAC Name1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)nc12
InChIInChI=1S/C25H24ClN3O4S2/c1-17-11-12-21(26)23-22(17)27-25(34-23)29(16-19-8-6-14-33-19)24(30)18-7-5-13-28(15-18)35(31,32)20-9-3-2-4-10-20/h2-4,6,8-12,14,18H,5,7,13,15-16H2,1H3
InChIKeyOBTOLVXNFZSZDO-UHFFFAOYSA-N
XLogP5.49
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862683
4-(azepan-1-ylsulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949459
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
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-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 30710129
N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16863606
1-(benzenesulfonyl)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 16862561
4-(benzenesulfonamido)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949484
1-(benzenesulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862602

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 16862751) is 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)nc12.
What is the InChIKey of 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OBTOLVXNFZSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S2/c1-17-11-12-21(26)23-22(17)27-25(34-23)29(16-19-8-6-14-33-19)24(30)18-7-5-13-28(15-18)35(31,32)20-9-3-2-4-10-20/h2-4,6,8-12,14,18H,5,7,13,15-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 530.07 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 16862751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).