3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide

C18H21ClN2O4S — CID 113139525

IUPAC3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-6-4-3-5-16(17)20-18(22)11-12-21(26(2,23)24)13-14-7-9-15(19)10-8-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyQDTIBEJUWGDYRJ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.14
Rot. Bonds8

About 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide

3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide (PubChem CID 113139525) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
PubChem CID113139525
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-6-4-3-5-16(17)20-18(22)11-12-21(26(2,23)24)13-14-7-9-15(19)10-8-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyQDTIBEJUWGDYRJ-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-cyanophenyl)propanamide
CID 113139529
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28547324
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113149350
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 37215281
N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide
CID 2421246
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide (CID 113139525) is 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN(Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is QDTIBEJUWGDYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-17-6-4-3-5-16(17)20-18(22)11-12-21(26(2,23)24)13-14-7-9-15(19)10-8-14/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide?
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 113139525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).