2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide

C30H30N2O3S — CID 30303921

IUPAC2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H30N2O3S/c1-3-24-15-11-13-21-28(24)32(36(34,35)26-18-8-5-9-19-26)22-29(33)31-30(25-16-6-4-7-17-25)27-20-12-10-14-23(27)2/h4-21,30H,3,22H2,1-2H3,(H,31,33)/t30-/m0/s1
InChIKeySDRIGUJOYRDBOU-PMERELPUSA-N
MW498.65 g/mol
LogP5.66
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 30303921) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID30303921
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H30N2O3S/c1-3-24-15-11-13-21-28(24)32(36(34,35)26-18-8-5-9-19-26)22-29(33)31-30(25-16-6-4-7-17-25)27-20-12-10-14-23(27)2/h4-21,30H,3,22H2,1-2H3,(H,31,33)/t30-/m0/s1
InChIKeySDRIGUJOYRDBOU-PMERELPUSA-N
XLogP5.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43886580
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94864725
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30304449
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92677777
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632472
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30305238
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(2-methylphenyl)acetamide
CID 4052421
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94027144
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863984
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94862279

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide (CID 30303921) is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide is CCc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is SDRIGUJOYRDBOU-PMERELPUSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-3-24-15-11-13-21-28(24)32(36(34,35)26-18-8-5-9-19-26)22-29(33)31-30(25-16-6-4-7-17-25)27-20-12-10-14-23(27)2/h4-21,30H,3,22H2,1-2H3,(H,31,33)/t30-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 498.65 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 30303921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).