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

C18H21ClN2O3S — CID 32755968

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(15-7-4-3-5-8-15)12-20-18(22)13-21(25(2,23)24)17-10-6-9-16(19)11-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyYNTHWPJBFSZLOE-CQSZACIVSA-N
MW380.90 g/mol
LogP3.03
Rot. Bonds7

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

2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 32755968) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID32755968
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(15-7-4-3-5-8-15)12-20-18(22)13-21(25(2,23)24)17-10-6-9-16(19)11-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyYNTHWPJBFSZLOE-CQSZACIVSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185213
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-phenylpropyl)acetamide
CID 133229153
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633983
2-(3-chloro-N-methylsulfonylanilino)-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]acetamide
CID 97078191
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126125465
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113143785
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-phenylpropyl)acetamide
CID 133189369
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide (CID 32755968) is 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is YNTHWPJBFSZLOE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14(15-7-4-3-5-8-15)12-20-18(22)13-21(25(2,23)24)17-10-6-9-16(19)11-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 32755968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).