3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide

C23H18N2O3S2 — CID 70122578

IUPAC3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18N2O3S2/c26-23(24-19-11-7-10-18(16-19)17-8-3-1-4-9-17)22-21(14-15-29-22)25-30(27,28)20-12-5-2-6-13-20/h1-16,25H,(H,24,26)
InChIKeyQKDWPYNWBDQCBK-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.47
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide

3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide (PubChem CID 70122578) has the molecular formula C23H18N2O3S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
PubChem CID70122578
Molecular FormulaC23H18N2O3S2
Molecular Weight434.54 g/mol
Exact Mass434.08
IUPAC Name3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18N2O3S2/c26-23(24-19-11-7-10-18(16-19)17-8-3-1-4-9-17)22-21(14-15-29-22)25-30(27,28)20-12-5-2-6-13-20/h1-16,25H,(H,24,26)
InChIKeyQKDWPYNWBDQCBK-UHFFFAOYSA-N
XLogP5.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
CID 70120492
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 10161709
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 70120787
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
CID 70121238
N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120169
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N,3-diphenylbenzenesulfonamide
CID 54513984

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide (CID 70122578) is 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(-c2ccccc2)c1)c1sccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide?
The InChIKey is QKDWPYNWBDQCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S2/c26-23(24-19-11-7-10-18(16-19)17-8-3-1-4-9-17)22-21(14-15-29-22)25-30(27,28)20-12-5-2-6-13-20/h1-16,25H,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide?
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 70122578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).