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

C17H19ClN2O4S — CID 113151312

IUPACN-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-8-6-13(7-9-16)11-20(25(2,22)23)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyDKHHPOIEFHDUNT-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.75
Rot. Bonds7

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

N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151312) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151312
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-8-6-13(7-9-16)11-20(25(2,22)23)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyDKHHPOIEFHDUNT-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide (CID 113151312) is N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide is COc1ccc(CN(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is DKHHPOIEFHDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-16-8-6-13(7-9-16)11-20(25(2,22)23)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 382.87 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).