N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide

C16H16ClN3O4S2 — CID 169144644

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(N3CCCC3=O)cs2)c1
InChIInChI=1S/C16H16ClN3O4S2/c1-26(23,24)19-12-6-10(17)5-11(7-12)18-16(22)14-8-13(9-25-14)20-4-2-3-15(20)21/h5-9,19H,2-4H2,1H3,(H,18,22)
InChIKeyVRDFOQQBIZZTDS-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.15
Rot. Bonds5

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide (PubChem CID 169144644) has the molecular formula C16H16ClN3O4S2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide
PubChem CID169144644
Molecular FormulaC16H16ClN3O4S2
Molecular Weight413.91 g/mol
Exact Mass413.03
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(N3CCCC3=O)cs2)c1
InChIInChI=1S/C16H16ClN3O4S2/c1-26(23,24)19-12-6-10(17)5-11(7-12)18-16(22)14-8-13(9-25-14)20-4-2-3-15(20)21/h5-9,19H,2-4H2,1H3,(H,18,22)
InChIKeyVRDFOQQBIZZTDS-UHFFFAOYSA-N
XLogP3.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E,2E)-2-(aminomethylidene)-N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopiperidin-1-yl)but-3-enamide
CID 176644653
3-(methanesulfonamido)-2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92673482
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
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N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methanesulfonamide
CID 7161323
3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253004
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
CID 169152227
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 16564284
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide (CID 169144644) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide is CS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(N3CCCC3=O)cs2)c1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide?
The InChIKey is VRDFOQQBIZZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S2/c1-26(23,24)19-12-6-10(17)5-11(7-12)18-16(22)14-8-13(9-25-14)20-4-2-3-15(20)21/h5-9,19H,2-4H2,1H3,(H,18,22).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 169144644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).