methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate

C25H20N2O5S2 — CID 121040700

IUPACmethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H20N2O5S2/c1-32-25(29)23-21(16-22(33-23)17-10-4-2-5-11-17)26-24(28)19-14-8-9-15-20(19)27-34(30,31)18-12-6-3-7-13-18/h2-16,27H,1H3,(H,26,28)
InChIKeyRKJHLFHQSKCWCO-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.25
Rot. Bonds7

About methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate

methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate (PubChem CID 121040700) has the molecular formula C25H20N2O5S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
PubChem CID121040700
Molecular FormulaC25H20N2O5S2
Molecular Weight492.58 g/mol
Exact Mass492.08
IUPAC Namemethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H20N2O5S2/c1-32-25(29)23-21(16-22(33-23)17-10-4-2-5-11-17)26-24(28)19-14-8-9-15-20(19)27-34(30,31)18-12-6-3-7-13-18/h2-16,27H,1H3,(H,26,28)
InChIKeyRKJHLFHQSKCWCO-UHFFFAOYSA-N
XLogP5.25
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360
ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040693
methyl 3-[(4-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565786
ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121043595
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351
methyl 3-amino-5-phenylthiophene-2-carboxylate;methyl 3-[(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 157100937
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 121041115
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate (CID 121040700) is methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is RKJHLFHQSKCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5S2/c1-32-25(29)23-21(16-22(33-23)17-10-4-2-5-11-17)26-24(28)19-14-8-9-15-20(19)27-34(30,31)18-12-6-3-7-13-18/h2-16,27H,1H3,(H,26,28).
What are the key properties of methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 492.58 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 121040700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).