(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide

C19H22ClNO2S — CID 94019624

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2S/c1-3-18(24-17-11-7-15(20)8-12-17)19(22)21-13-14-5-9-16(10-6-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyJDNDKILWOHFJGH-GOSISDBHSA-N
MW363.91 g/mol
LogP4.93
Rot. Bonds8

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide (PubChem CID 94019624) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
PubChem CID94019624
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2S/c1-3-18(24-17-11-7-15(20)8-12-17)19(22)21-13-14-5-9-16(10-6-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyJDNDKILWOHFJGH-GOSISDBHSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[3-(4-ethoxyphenyl)propyl]butanamide
CID 132659536
2-(4-chlorophenyl)sulfanyl-N-[[4-(diethylamino)phenyl]methyl]butanamide
CID 133199616
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 133235789
2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663545
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546639
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240493
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390507

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide (CID 94019624) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide is CCOc1ccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide?
The InChIKey is JDNDKILWOHFJGH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-3-18(24-17-11-7-15(20)8-12-17)19(22)21-13-14-5-9-16(10-6-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide has a molecular weight of 363.91 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 94019624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).