(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide

C18H21ClN2O4S — CID 55939954

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-3-25-16-6-4-5-14(11-16)12-20-18(22)13(2)21-26(23,24)17-9-7-15(19)8-10-17/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyFJYHOJXDQIVERD-ZDUSSCGKSA-N
MW396.90 g/mol
LogP2.72
Rot. Bonds8

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide (PubChem CID 55939954) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
PubChem CID55939954
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-3-25-16-6-4-5-14(11-16)12-20-18(22)13(2)21-26(23,24)17-9-7-15(19)8-10-17/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyFJYHOJXDQIVERD-ZDUSSCGKSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide (CID 55939954) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide is CCOc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide?
The InChIKey is FJYHOJXDQIVERD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-25-16-6-4-5-14(11-16)12-20-18(22)13(2)21-26(23,24)17-9-7-15(19)8-10-17/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide has a molecular weight of 396.90 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55939954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).