2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide

C27H32N2O4S — CID 126393608

IUPAC2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C27H32N2O4S/c1-18(2)22-8-10-23(11-9-22)28-27(30)17-29(24-14-20(4)13-21(5)15-24)34(31,32)26-16-19(3)7-12-25(26)33-6/h7-16,18H,17H2,1-6H3,(H,28,30)
InChIKeyLPASNOMKAXYRLX-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.58
Rot. Bonds8

About 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 126393608) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID126393608
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C27H32N2O4S/c1-18(2)22-8-10-23(11-9-22)28-27(30)17-29(24-14-20(4)13-21(5)15-24)34(31,32)26-16-19(3)7-12-25(26)33-6/h7-16,18H,17H2,1-6H3,(H,28,30)
InChIKeyLPASNOMKAXYRLX-UHFFFAOYSA-N
XLogP5.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126394469
N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532
4-[[2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301795
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113174118
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 126393608) is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is LPASNOMKAXYRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-18(2)22-8-10-23(11-9-22)28-27(30)17-29(24-14-20(4)13-21(5)15-24)34(31,32)26-16-19(3)7-12-25(26)33-6/h7-16,18H,17H2,1-6H3,(H,28,30).
What are the key properties of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 480.63 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 126393608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).