2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C30H30N2O4S — CID 30306626

IUPAC2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C30H30N2O4S/c1-22-16-18-27(19-17-22)37(34,35)32(25-13-9-14-26(20-25)36-3)21-29(33)31-30(24-11-5-4-6-12-24)28-15-8-7-10-23(28)2/h4-20,30H,21H2,1-3H3,(H,31,33)/t30-/m1/s1
InChIKeyCXJMXURSUAGLGR-SSEXGKCCSA-N
MW514.65 g/mol
LogP5.41
Rot. Bonds9

About 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 30306626) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID30306626
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCOc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C30H30N2O4S/c1-22-16-18-27(19-17-22)37(34,35)32(25-13-9-14-26(20-25)36-3)21-29(33)31-30(24-11-5-4-6-12-24)28-15-8-7-10-23(28)2/h4-20,30H,21H2,1-3H3,(H,31,33)/t30-/m1/s1
InChIKeyCXJMXURSUAGLGR-SSEXGKCCSA-N
XLogP5.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863974
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632472
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 30306621
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30214531
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863984
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94027144
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 30306626) is 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is COc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is CXJMXURSUAGLGR-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-22-16-18-27(19-17-22)37(34,35)32(25-13-9-14-26(20-25)36-3)21-29(33)31-30(24-11-5-4-6-12-24)28-15-8-7-10-23(28)2/h4-20,30H,21H2,1-3H3,(H,31,33)/t30-/m1/s1.
What are the key properties of 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 514.65 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 30306626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).