3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide

C18H20ClNO3S — CID 9302482

IUPAC3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO3S/c1-14(15-5-3-2-4-6-15)13-20-18(21)11-12-24(22,23)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAGBYWCAOQYSJPE-AWEZNQCLSA-N
MW365.88 g/mol
LogP3.42
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 9302482) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID9302482
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO3S/c1-14(15-5-3-2-4-6-15)13-20-18(21)11-12-24(22,23)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAGBYWCAOQYSJPE-AWEZNQCLSA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
CID 46584501
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 42990397
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209242
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide (CID 9302482) is 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide is C[C@@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is AGBYWCAOQYSJPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14(15-5-3-2-4-6-15)13-20-18(21)11-12-24(22,23)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 365.88 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 9302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).