2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C30H30N2O3S — CID 30303863

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C30H30N2O3S/c1-22-18-19-26(20-24(22)3)32(36(34,35)27-15-8-5-9-16-27)21-29(33)31-30(25-13-6-4-7-14-25)28-17-11-10-12-23(28)2/h4-20,30H,21H2,1-3H3,(H,31,33)/t30-/m1/s1
InChIKeyFOCGIIBUZVTPCH-SSEXGKCCSA-N
MW498.65 g/mol
LogP5.71
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 30303863) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID30303863
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C30H30N2O3S/c1-22-18-19-26(20-24(22)3)32(36(34,35)27-15-8-5-9-16-27)21-29(33)31-30(25-13-6-4-7-14-25)28-17-11-10-12-23(28)2/h4-20,30H,21H2,1-3H3,(H,31,33)/t30-/m1/s1
InChIKeyFOCGIIBUZVTPCH-SSEXGKCCSA-N
XLogP5.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43906032
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30305238
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632472
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30306205
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30304449
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94862279
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)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863974
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43886580

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 30303863) is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is FOCGIIBUZVTPCH-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-22-18-19-26(20-24(22)3)32(36(34,35)27-15-8-5-9-16-27)21-29(33)31-30(25-13-6-4-7-14-25)28-17-11-10-12-23(28)2/h4-20,30H,21H2,1-3H3,(H,31,33)/t30-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 498.65 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 30303863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).