N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

C18H21ClN2O4S — CID 113152317

IUPACN-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-15-9-7-14(8-10-15)11-12-21(26(2,23)24)13-18(22)20-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyLEVRJYHCDPFEIK-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.79
Rot. Bonds8

About N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152317) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152317
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-15-9-7-14(8-10-15)11-12-21(26(2,23)24)13-18(22)20-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyLEVRJYHCDPFEIK-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
CID 113152304
N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152317) is N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1ccc(CCN(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is LEVRJYHCDPFEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-15-9-7-14(8-10-15)11-12-21(26(2,23)24)13-18(22)20-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).