2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide

C25H28N2O3S — CID 125057166

IUPAC2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-12-14-24(15-13-19)31(29,30)27(23-11-7-8-20(2)16-23)18-25(28)26-17-21(3)22-9-5-4-6-10-22/h4-16,21H,17-18H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyCKJXVCFAOBQYBR-NRFANRHFSA-N
MW436.58 g/mol
LogP4.42
Rot. Bonds8

About 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide

2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 125057166) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID125057166
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-12-14-24(15-13-19)31(29,30)27(23-11-7-8-20(2)16-23)18-25(28)26-17-21(3)22-9-5-4-6-10-22/h4-16,21H,17-18H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyCKJXVCFAOBQYBR-NRFANRHFSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058021
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229047
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185426
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-phenylpropyl)acetamide
CID 133244625
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229072
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43901799
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 28635768
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide (CID 125057166) is 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is CKJXVCFAOBQYBR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-12-14-24(15-13-19)31(29,30)27(23-11-7-8-20(2)16-23)18-25(28)26-17-21(3)22-9-5-4-6-10-22/h4-16,21H,17-18H2,1-3H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 125057166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).