N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

C18H16N2O3S2 — CID 169152342

IUPACN-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)
InChIKeyGMWBWXRCKWTKAO-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 169152342) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
PubChem CID169152342
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC NameN-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)
InChIKeyGMWBWXRCKWTKAO-UHFFFAOYSA-N
XLogP4.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

HDAC inhibitor, Compound 1
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N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
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Cambridge id 5272675
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N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
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5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
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Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide (CID 169152342) is N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide is CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is GMWBWXRCKWTKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 169152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).