(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide

C17H19NO4S — CID 96524563

IUPAC(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
SMILESCCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-13(2)17(19)18-23(20,21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyRLZKRBNWYAQFAI-ZDUSSCGKSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide

(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide (PubChem CID 96524563) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
PubChem CID96524563
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
SMILESCCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-13(2)17(19)18-23(20,21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyRLZKRBNWYAQFAI-ZDUSSCGKSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
CID 95276135
ethyl 2-amino-3-(benzenesulfonamido)-3-oxopropanoate
CID 103308934
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 11418272
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
CID 149392141
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
(2S)-N-(benzenesulfonyl)-2-bromopentanamide
CID 7035642
2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
CID 72628786
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
4-phenyl-N-propoxybenzenesulfonamide
CID 175370180
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide?
The IUPAC name of (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide (CID 96524563) is (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide is CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide?
The InChIKey is RLZKRBNWYAQFAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-22-13(2)17(19)18-23(20,21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide?
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide has a molecular weight of 333.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide is sourced from PubChem (CID 96524563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).