(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide

C18H21ClN2O4S — CID 7376444

IUPAC(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-11-5-8-16(25-4)17(9-11)26(23,24)21-13(3)18(22)20-14-7-6-12(2)15(19)10-14/h5-10,13,21H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyCVRHOJLKZVSIEA-CYBMUJFWSA-N
MW396.90 g/mol
LogP3.27
Rot. Bonds6

About (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide

(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide (PubChem CID 7376444) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
PubChem CID7376444
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-11-5-8-16(25-4)17(9-11)26(23,24)21-13(3)18(22)20-14-7-6-12(2)15(19)10-14/h5-10,13,21H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyCVRHOJLKZVSIEA-CYBMUJFWSA-N
XLogP3.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 984233
N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663881
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
CID 126396716
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 126398525
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide (CID 7376444) is (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
The InChIKey is CVRHOJLKZVSIEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-11-5-8-16(25-4)17(9-11)26(23,24)21-13(3)18(22)20-14-7-6-12(2)15(19)10-14/h5-10,13,21H,1-4H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 7376444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).