N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide

C16H18N2O3S2 — CID 7636353

IUPACN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccs2)cc1N1CCCCC1=O
InChIInChI=1S/C16H18N2O3S2/c1-12-7-8-13(17-23(20,21)16-6-4-10-22-16)11-14(12)18-9-3-2-5-15(18)19/h4,6-8,10-11,17H,2-3,5,9H2,1H3
InChIKeyYEDPRHWDEQXVQD-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.37
Rot. Bonds4

About N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7636353) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7636353
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccs2)cc1N1CCCCC1=O
InChIInChI=1S/C16H18N2O3S2/c1-12-7-8-13(17-23(20,21)16-6-4-10-22-16)11-14(12)18-9-3-2-5-15(18)19/h4,6-8,10-11,17H,2-3,5,9H2,1H3
InChIKeyYEDPRHWDEQXVQD-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636338
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-sulfonamide
CID 112505840
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
CID 7636321
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189
2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636345
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998
2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636371
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636431
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636428
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 7636353) is N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccs2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is YEDPRHWDEQXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12-7-8-13(17-23(20,21)16-6-4-10-22-16)11-14(12)18-9-3-2-5-15(18)19/h4,6-8,10-11,17H,2-3,5,9H2,1H3.
What are the key properties of N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7636353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).