N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide

C18H21ClN2O4S — CID 113060265

IUPACN-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(N(CCNS(=O)(=O)c2ccccc2C)C(C)=O)cc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-13-6-4-5-7-18(13)26(23,24)20-10-11-21(14(2)22)15-8-9-17(25-3)16(19)12-15/h4-9,12,20H,10-11H2,1-3H3
InChIKeyUFSSBDXNYOTUBT-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.99
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide

N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113060265) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113060265
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(N(CCNS(=O)(=O)c2ccccc2C)C(C)=O)cc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-13-6-4-5-7-18(13)26(23,24)20-10-11-21(14(2)22)15-8-9-17(25-3)16(19)12-15/h4-9,12,20H,10-11H2,1-3H3
InChIKeyUFSSBDXNYOTUBT-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113057949
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060525
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2,6-dimethylphenyl)acetamide
CID 113058176
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113058855
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060708
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113060265) is N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(N(CCNS(=O)(=O)c2ccccc2C)C(C)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is UFSSBDXNYOTUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-6-4-5-7-18(13)26(23,24)20-10-11-21(14(2)22)15-8-9-17(25-3)16(19)12-15/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113060265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).