N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide

C19H21ClN2O3S — CID 44639801

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SCC(=O)Nc2cccc(C)c2)cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-12-5-4-6-14(9-12)21-18(23)11-26-13(2)19(24)22-15-7-8-17(25-3)16(20)10-15/h4-10,13H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLDJLZKWGOYTQSE-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.36
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 44639801) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID44639801
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SCC(=O)Nc2cccc(C)c2)cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-12-5-4-6-14(9-12)21-18(23)11-26-13(2)19(24)22-15-7-8-17(25-3)16(20)10-15/h4-10,13H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLDJLZKWGOYTQSE-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062255
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730491
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
(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
N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119419433
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 82032405
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 41296976
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105353137
1-(3-chloro-4-methoxyphenyl)-3-(3-methylphenyl)thiourea
CID 19677523
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide (CID 44639801) is N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide is COc1ccc(NC(=O)C(C)SCC(=O)Nc2cccc(C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is LDJLZKWGOYTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-12-5-4-6-14(9-12)21-18(23)11-26-13(2)19(24)22-15-7-8-17(25-3)16(20)10-15/h4-10,13H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 392.91 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 44639801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).