2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C30H29ClN2O4S — CID 99949202

IUPAC2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H29ClN2O4S/c1-3-37-26-17-15-25(16-18-26)33(38(35,36)27-19-13-24(31)14-20-27)21-29(34)32-30(23-10-5-4-6-11-23)28-12-8-7-9-22(28)2/h4-20,30H,3,21H2,1-2H3,(H,32,34)/t30-/m1/s1
InChIKeyUUQVUDXBQIFPHN-SSEXGKCCSA-N
MW549.09 g/mol
LogP6.15
Rot. Bonds10

About 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 99949202) has the molecular formula C30H29ClN2O4S and a molecular weight of 549.09 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID99949202
Molecular FormulaC30H29ClN2O4S
Molecular Weight549.09 g/mol
Exact Mass548.15
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H29ClN2O4S/c1-3-37-26-17-15-25(16-18-26)33(38(35,36)27-19-13-24(31)14-20-27)21-29(34)32-30(23-10-5-4-6-11-23)28-12-8-7-9-22(28)2/h4-20,30H,3,21H2,1-2H3,(H,32,34)/t30-/m1/s1
InChIKeyUUQVUDXBQIFPHN-SSEXGKCCSA-N
XLogP6.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.09
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30304449
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94864190
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 46770563
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94027144
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43906032
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-propan-2-ylacetamide
CID 3130619
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide
CID 53279171
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30305238
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132624045
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 94862181
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1363105

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 99949202) is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is CCOc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is UUQVUDXBQIFPHN-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H29ClN2O4S/c1-3-37-26-17-15-25(16-18-26)33(38(35,36)27-19-13-24(31)14-20-27)21-29(34)32-30(23-10-5-4-6-11-23)28-12-8-7-9-22(28)2/h4-20,30H,3,21H2,1-2H3,(H,32,34)/t30-/m1/s1.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 549.09 g/mol, XLogP of 6.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 99949202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).