methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate

C19H15NO5S2 — CID 1482745

IUPACmethyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H15NO5S2/c1-25-19(22)13-9-10-17(27(23,24)14-6-3-2-4-7-14)15(12-13)20-18(21)16-8-5-11-26-16/h2-12H,1H3,(H,20,21)
InChIKeySGMQHCDVZWCRRV-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.62
Rot. Bonds5

About methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate

methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate (PubChem CID 1482745) has the molecular formula C19H15NO5S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate
PubChem CID1482745
Molecular FormulaC19H15NO5S2
Molecular Weight401.47 g/mol
Exact Mass401.04
IUPAC Namemethyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H15NO5S2/c1-25-19(22)13-9-10-17(27(23,24)14-6-3-2-4-7-14)15(12-13)20-18(21)16-8-5-11-26-16/h2-12H,1H3,(H,20,21)
InChIKeySGMQHCDVZWCRRV-UHFFFAOYSA-N
XLogP3.62
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-3-(benzenesulfonyl)benzoate
CID 11066234
methyl 3-(methoxycarbonylamino)-4-(thiophene-2-carbonyl)benzoate
CID 23909478
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
4-methyl-3-(thiophene-2-carbonylamino)benzoate
CID 5122270
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
dimethyl 2-[[2-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 4248824
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
methyl 4-(4-chlorophenyl)sulfonyl-3-phenylbenzoate
CID 163722495
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate (CID 1482745) is methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate is COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(NC(=O)c2cccs2)c1.
What is the InChIKey of methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is SGMQHCDVZWCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S2/c1-25-19(22)13-9-10-17(27(23,24)14-6-3-2-4-7-14)15(12-13)20-18(21)16-8-5-11-26-16/h2-12H,1H3,(H,20,21).
What are the key properties of methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate?
methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 401.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzenesulfonyl)-3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 1482745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).