(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

C19H21ClN2O3S — CID 38488860

IUPAC(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-13(25-16-10-6-4-8-14(16)20)19(24)22(2)12-18(23)21-15-9-5-7-11-17(15)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyBQRRZVVDOJHTPN-CYBMUJFWSA-N
MW392.91 g/mol
LogP3.93
Rot. Bonds7

About (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (PubChem CID 38488860) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
PubChem CID38488860
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-13(25-16-10-6-4-8-14(16)20)19(24)22(2)12-18(23)21-15-9-5-7-11-17(15)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyBQRRZVVDOJHTPN-CYBMUJFWSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 7969609
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
2,4-dichloro-N-[4-methyl-1-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide
CID 55330567
methyl 2-methyl-3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoate
CID 60704243
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (CID 38488860) is (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The InChIKey is BQRRZVVDOJHTPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13(25-16-10-6-4-8-14(16)20)19(24)22(2)12-18(23)21-15-9-5-7-11-17(15)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide has a molecular weight of 392.91 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 38488860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).