(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide

C21H28N2O4S — CID 30165111

IUPAC(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C21H28N2O4S/c1-4-13-22-21(24)19(15-17-9-7-6-8-10-17)23-28(25,26)18-11-12-20(27-5-2)16(3)14-18/h6-12,14,19,23H,4-5,13,15H2,1-3H3,(H,22,24)/t19-/m0/s1
InChIKeyPBOWMQQOLAKRMN-IBGZPJMESA-N
MW404.53 g/mol
LogP2.81
Rot. Bonds10

About (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide

(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide (PubChem CID 30165111) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
PubChem CID30165111
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C21H28N2O4S/c1-4-13-22-21(24)19(15-17-9-7-6-8-10-17)23-28(25,26)18-11-12-20(27-5-2)16(3)14-18/h6-12,14,19,23H,4-5,13,15H2,1-3H3,(H,22,24)/t19-/m0/s1
InChIKeyPBOWMQQOLAKRMN-IBGZPJMESA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 43890809
N-benzhydryl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890919
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(2S)-N-cyclopentyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165138
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 30144142
(2S)-N-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541468
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
CID 30165341
N-(2,6-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890868
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 30165324
(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 30143975
dimethyl 5-[[(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The IUPAC name of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide (CID 30165111) is (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide is CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1.
What is the InChIKey of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
The InChIKey is PBOWMQQOLAKRMN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-13-22-21(24)19(15-17-9-7-6-8-10-17)23-28(25,26)18-11-12-20(27-5-2)16(3)14-18/h6-12,14,19,23H,4-5,13,15H2,1-3H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide?
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide has a molecular weight of 404.53 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 30165111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).