(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide

C17H18ClNO4S — CID 51933875

IUPAC(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H18ClNO4S/c1-12(17(20)19-15-6-4-3-5-7-15)24(21,22)11-13-10-14(18)8-9-16(13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyWMCAREMIMIPGTP-GFCCVEGCSA-N
MW367.85 g/mol
LogP3.29
Rot. Bonds6

About (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide

(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide (PubChem CID 51933875) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
PubChem CID51933875
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H18ClNO4S/c1-12(17(20)19-15-6-4-3-5-7-15)24(21,22)11-13-10-14(18)8-9-16(13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyWMCAREMIMIPGTP-GFCCVEGCSA-N
XLogP3.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]butanoic acid
CID 104539514
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
(5-chloro-2-methoxyphenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981667
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
(2S)-4-[3-[(5-chloro-2-methoxyphenyl)methyl]-2,6-dioxoazepan-1-yl]-2-methyl-4-oxo-N-phenylbutanamide
CID 58339407
3-[(5-chloro-2-methoxyphenyl)methylsulfinyl]-N-phenylpropanamide
CID 56808114
(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 51946841
[(2S)-1-anilino-1-oxopropan-2-yl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658265
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide (CID 51933875) is (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide is COc1ccc(Cl)cc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
The InChIKey is WMCAREMIMIPGTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-12(17(20)19-15-6-4-3-5-7-15)24(21,22)11-13-10-14(18)8-9-16(13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide?
(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide has a molecular weight of 367.85 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide is sourced from PubChem (CID 51933875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).