(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

C17H17Cl2NO4S — CID 51946841

IUPAC(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO4S/c1-11(17(21)20-15-5-3-4-6-16(15)24-2)25(22,23)10-12-7-8-13(18)14(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyWNWMNJFDIZQXAQ-LLVKDONJSA-N
MW402.30 g/mol
LogP3.94
Rot. Bonds6

About (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 51946841) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
PubChem CID51946841
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Name(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO4S/c1-11(17(21)20-15-5-3-4-6-16(15)24-2)25(22,23)10-12-7-8-13(18)14(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyWNWMNJFDIZQXAQ-LLVKDONJSA-N
XLogP3.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 78876975
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 55324559
1-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 100747065
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 1341129
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51933875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide (CID 51946841) is (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is WNWMNJFDIZQXAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-11(17(21)20-15-5-3-4-6-16(15)24-2)25(22,23)10-12-7-8-13(18)14(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 402.30 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 51946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).