(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide

C18H19ClN2O3S — CID 7731710

IUPAC(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-12(18(23)20-14-9-7-13(19)8-10-14)25-11-17(22)21-15-5-3-4-6-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyDLMJNCAVLQBVCO-LBPRGKRZSA-N
MW378.88 g/mol
LogP4.05
Rot. Bonds7

About (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide

(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 7731710) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID7731710
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-12(18(23)20-14-9-7-13(19)8-10-14)25-11-17(22)21-15-5-3-4-6-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyDLMJNCAVLQBVCO-LBPRGKRZSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639868
(2R)-N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731757
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639864
(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 7731462
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 7730463
(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731733
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 1412133
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639859
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (CID 7731710) is (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is COc1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is DLMJNCAVLQBVCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-12(18(23)20-14-9-7-13(19)8-10-14)25-11-17(22)21-15-5-3-4-6-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 378.88 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 7731710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).