(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide

C21H28N2O4S — CID 30167342

IUPAC(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-27-18-10-12-19(13-11-18)28(25,26)23-20(21(24)22-15-16(2)3)14-17-8-6-5-7-9-17/h5-13,16,20,23H,4,14-15H2,1-3H3,(H,22,24)/t20-/m1/s1
InChIKeyNOSNNYQHJVGHLD-HXUWFJFHSA-N
MW404.53 g/mol
LogP2.75
Rot. Bonds10

About (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide

(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 30167342) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID30167342
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-27-18-10-12-19(13-11-18)28(25,26)23-20(21(24)22-15-16(2)3)14-17-8-6-5-7-9-17/h5-13,16,20,23H,4,14-15H2,1-3H3,(H,22,24)/t20-/m1/s1
InChIKeyNOSNNYQHJVGHLD-HXUWFJFHSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 30167351
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144497
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 43889138
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 30167436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 30167342) is (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1.
What is the InChIKey of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is NOSNNYQHJVGHLD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-27-18-10-12-19(13-11-18)28(25,26)23-20(21(24)22-15-16(2)3)14-17-8-6-5-7-9-17/h5-13,16,20,23H,4,14-15H2,1-3H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 404.53 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 30167342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).