N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

C19H16N2O4S2 — CID 169152227

IUPACN-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(C=O)cc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H16N2O4S2/c1-27(24,25)21-17-8-13(11-22)7-16(10-17)20-19(23)18-9-15(12-26-18)14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,23)
InChIKeySRERJZGQZBKQPW-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.85
Rot. Bonds6

About N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 169152227) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
PubChem CID169152227
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC NameN-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(C=O)cc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H16N2O4S2/c1-27(24,25)21-17-8-13(11-22)7-16(10-17)20-19(23)18-9-15(12-26-18)14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,23)
InChIKeySRERJZGQZBKQPW-UHFFFAOYSA-N
XLogP3.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
CID 169144914
N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide
CID 174102870
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
N-[4-[3,5-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89237722
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89238001
N-(3-fluoro-5-formylphenyl)methanesulfonamide
CID 119084410
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide
CID 169144958
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(2-oxopyrrolidin-1-yl)thiophene-2-carboxamide
CID 169144644
4-methylsulfonyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 166192784

Frequently Asked Questions

What is the IUPAC name of N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide (CID 169152227) is N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide is CS(=O)(=O)Nc1cc(C=O)cc(NC(=O)c2cc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is SRERJZGQZBKQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c1-27(24,25)21-17-8-13(11-22)7-16(10-17)20-19(23)18-9-15(12-26-18)14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,23).
What are the key properties of N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide?
N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 169152227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).