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

C18H21ClN2O4S — CID 113152245

IUPACN-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(CCN(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-5-3-4-14(12-17)10-11-21(26(2,23)24)13-18(22)20-16-8-6-15(19)7-9-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyCIEMOIKGTXSPNK-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.79
Rot. Bonds8

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

N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152245) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152245
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(CCN(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-5-3-4-14(12-17)10-11-21(26(2,23)24)13-18(22)20-16-8-6-15(19)7-9-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyCIEMOIKGTXSPNK-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

N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152253
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152245) is N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1cccc(CCN(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is CIEMOIKGTXSPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-17-5-3-4-14(12-17)10-11-21(26(2,23)24)13-18(22)20-16-8-6-15(19)7-9-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-(4-chlorophenyl)-2-[2-(3-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-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).