1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide

C19H20ClN3O4S3 — CID 25302046

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)s/c(=N\C(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)n2C
InChIInChI=1S/C19H20ClN3O4S3/c1-22-14-4-3-13(27-2)11-15(14)28-19(22)21-18(24)12-7-9-23(10-8-12)30(25,26)17-6-5-16(20)29-17/h3-6,11-12H,7-10H2,1-2H3/b21-19-
InChIKeySZZUWTMGTYAPED-VZCXRCSSSA-N
MW486.04 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide (PubChem CID 25302046) has the molecular formula C19H20ClN3O4S3 and a molecular weight of 486.04 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
PubChem CID25302046
Molecular FormulaC19H20ClN3O4S3
Molecular Weight486.04 g/mol
Exact Mass485.03
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)s/c(=N\C(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)n2C
InChIInChI=1S/C19H20ClN3O4S3/c1-22-14-4-3-13(27-2)11-15(14)28-19(22)21-18(24)12-7-9-23(10-8-12)30(25,26)17-6-5-16(20)29-17/h3-6,11-12H,7-10H2,1-2H3/b21-19-
InChIKeySZZUWTMGTYAPED-VZCXRCSSSA-N
XLogP3.49
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16934498
1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 25302139
1-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16861661
1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 41019492
1-thiophen-2-ylsulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 41019461
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 3494041
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863046
1-(4-methoxyphenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 42523374
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25301999
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 2057492
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 16852031

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide (CID 25302046) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide is COc1ccc2c(c1)s/c(=N\C(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)n2C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide?
The InChIKey is SZZUWTMGTYAPED-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20ClN3O4S3/c1-22-14-4-3-13(27-2)11-15(14)28-19(22)21-18(24)12-7-9-23(10-8-12)30(25,26)17-6-5-16(20)29-17/h3-6,11-12H,7-10H2,1-2H3/b21-19-.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide has a molecular weight of 486.04 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide is sourced from PubChem (CID 25302046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).