N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide

C15H16N2O4S2 — CID 18191008

IUPACN-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-23(20,21)12-6-4-11(5-7-12)17-14(18)8-9-16-15(19)13-3-2-10-22-13/h2-7,10H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyZBVXNSXCOMBUSW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.91
Rot. Bonds6

About N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 18191008) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID18191008
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC NameN-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-23(20,21)12-6-4-11(5-7-12)17-14(18)8-9-16-15(19)13-3-2-10-22-13/h2-7,10H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyZBVXNSXCOMBUSW-UHFFFAOYSA-N
XLogP1.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 37195585
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50952323

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 18191008) is N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is ZBVXNSXCOMBUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-23(20,21)12-6-4-11(5-7-12)17-14(18)8-9-16-15(19)13-3-2-10-22-13/h2-7,10H,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 18191008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).