(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

C24H26N2O5S — CID 1058953

IUPAC(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-17-9-12-20(13-10-17)32(28,29)26-22(15-18-7-5-4-6-8-18)24(27)25-21-14-11-19(30-2)16-23(21)31-3/h4-14,16,22,26H,15H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyZXCSPIYSYJZGFU-JOCHJYFZSA-N
MW454.55 g/mol
LogP3.54
Rot. Bonds9

About (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 1058953) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID1058953
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-17-9-12-20(13-10-17)32(28,29)26-22(15-18-7-5-4-6-8-18)24(27)25-21-14-11-19(30-2)16-23(21)31-3/h4-14,16,22,26H,15H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyZXCSPIYSYJZGFU-JOCHJYFZSA-N
XLogP3.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005
(2S)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538504
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321
N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871248
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 28541028
(2S)-N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541677
(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165489
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 30166323
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 28540088
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 43871101
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 1058953) is (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ZXCSPIYSYJZGFU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-9-12-20(13-10-17)32(28,29)26-22(15-18-7-5-4-6-8-18)24(27)25-21-14-11-19(30-2)16-23(21)31-3/h4-14,16,22,26H,15H2,1-3H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 454.55 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 1058953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).