(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C18H21ClN2O4S — CID 1317717

IUPAC(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-25-17-10-8-16(9-11-17)21(26(3,23)24)13(2)18(22)20-15-7-5-6-14(19)12-15/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyWVKLVVUSKMNHMV-CYBMUJFWSA-N
MW396.90 g/mol
LogP3.53
Rot. Bonds7

About (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 1317717) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID1317717
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-25-17-10-8-16(9-11-17)21(26(3,23)24)13(2)18(22)20-15-7-5-6-14(19)12-15/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyWVKLVVUSKMNHMV-CYBMUJFWSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 125058110
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959
3-chloro-N-[3-[(Z)-N-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 43881919
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126269148
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2S)-N-(4-bromophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333977
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126323635
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 1317717) is (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is WVKLVVUSKMNHMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-25-17-10-8-16(9-11-17)21(26(3,23)24)13(2)18(22)20-15-7-5-6-14(19)12-15/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 1317717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).