(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide

C19H23ClN2O3S — CID 125064726

IUPAC(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(16-8-5-4-6-9-16)13-21-19(23)15(2)22(26(3,24)25)18-11-7-10-17(20)12-18/h4-12,14-15H,13H2,1-3H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyDMXDVCPWUBJNCQ-CABCVRRESA-N
MW394.92 g/mol
LogP3.41
Rot. Bonds7

About (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 125064726) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID125064726
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(16-8-5-4-6-9-16)13-21-19(23)15(2)22(26(3,24)25)18-11-7-10-17(20)12-18/h4-12,14-15H,13H2,1-3H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyDMXDVCPWUBJNCQ-CABCVRRESA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 43907550
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-2-phenylpropyl]propanamide
CID 125065570
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125057687
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132667606
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide (CID 125064726) is (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is DMXDVCPWUBJNCQ-CABCVRRESA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(16-8-5-4-6-9-16)13-21-19(23)15(2)22(26(3,24)25)18-11-7-10-17(20)12-18/h4-12,14-15H,13H2,1-3H3,(H,21,23)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide?
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 394.92 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 125064726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).