1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide

C18H18ClN3O3S3 — CID 16830604

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
SMILESCc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)ccc2s1
InChIInChI=1S/C18H18ClN3O3S3/c1-11-20-14-10-13(2-3-15(14)26-11)21-18(23)12-6-8-22(9-7-12)28(24,25)17-5-4-16(19)27-17/h2-5,10,12H,6-9H2,1H3,(H,21,23)
InChIKeyQOAWOXARIAALQO-UHFFFAOYSA-N
MW456.01 g/mol
LogP4.36
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide (PubChem CID 16830604) has the molecular formula C18H18ClN3O3S3 and a molecular weight of 456.01 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
PubChem CID16830604
Molecular FormulaC18H18ClN3O3S3
Molecular Weight456.01 g/mol
Exact Mass455.02
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
SMILESCc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)ccc2s1
InChIInChI=1S/C18H18ClN3O3S3/c1-11-20-14-10-13(2-3-15(14)26-11)21-18(23)12-6-8-22(9-7-12)28(24,25)17-5-4-16(19)27-17/h2-5,10,12H,6-9H2,1H3,(H,21,23)
InChIKeyQOAWOXARIAALQO-UHFFFAOYSA-N
XLogP4.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.01
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 16830594
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxamide
CID 16830859
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 16830844
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
methyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41100151
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide
CID 16826658
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 41100117
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 18567165

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide (CID 16830604) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide is Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)ccc2s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is QOAWOXARIAALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S3/c1-11-20-14-10-13(2-3-15(14)26-11)21-18(23)12-6-8-22(9-7-12)28(24,25)17-5-4-16(19)27-17/h2-5,10,12H,6-9H2,1H3,(H,21,23).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 456.01 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16830604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).