[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone

C26H23ClN2O4S2 — CID 46350937

IUPAC[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
SMILESCOc1ccccc1Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O4S2/c1-15-8-13-19(16(2)14-15)23(30)24-22(28)25(35(31,32)18-11-9-17(27)10-12-18)26(34-24)29-20-6-4-5-7-21(20)33-3/h4-14,29H,28H2,1-3H3
InChIKeyGQWXUGQXOMAWJJ-UHFFFAOYSA-N
MW527.07 g/mol
LogP6.42
Rot. Bonds7

About [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone

[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 46350937) has the molecular formula C26H23ClN2O4S2 and a molecular weight of 527.07 g/mol. Its IUPAC name is [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
PubChem CID46350937
Molecular FormulaC26H23ClN2O4S2
Molecular Weight527.07 g/mol
Exact Mass526.08
IUPAC Name[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
SMILESCOc1ccccc1Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN2O4S2/c1-15-8-13-19(16(2)14-15)23(30)24-22(28)25(35(31,32)18-11-9-17(27)10-12-18)26(34-24)29-20-6-4-5-7-21(20)33-3/h4-14,29H,28H2,1-3H3
InChIKeyGQWXUGQXOMAWJJ-UHFFFAOYSA-N
XLogP6.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.07
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-amino-5-(2-methoxyanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-chlorophenyl)methanone
CID 46350864
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
CID 46350935
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2,6-dimethylanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350974
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(4-methylanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350956
[3-amino-5-(2,4-dimethylanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350910
[3-amino-5-anilino-4-(4-bromophenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350988
[3-amino-5-(3,4-dimethylanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350927
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2,4-dimethylanilino)thiophen-2-yl]-(4-fluorophenyl)methanone
CID 46350963
4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
CID 20932234
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(3,4-dimethylanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
CID 46350977
[3-amino-5-(2,5-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-methylphenyl)methanone
CID 16956120
[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone
CID 46350732

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone (CID 46350937) is [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone is COc1ccccc1Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is GQWXUGQXOMAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4S2/c1-15-8-13-19(16(2)14-15)23(30)24-22(28)25(35(31,32)18-11-9-17(27)10-12-18)26(34-24)29-20-6-4-5-7-21(20)33-3/h4-14,29H,28H2,1-3H3.
What are the key properties of [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone?
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 527.07 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 46350937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).