N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

C19H23ClN2O4S — CID 45373189

IUPACN-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-22(13-19(23)21-18-8-6-7-17(20)14(18)3)27(24,25)16-11-9-15(10-12-16)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyZZPJRBRLHVOYPW-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.70
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 45373189) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
PubChem CID45373189
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-22(13-19(23)21-18-8-6-7-17(20)14(18)3)27(24,25)16-11-9-15(10-12-16)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyZZPJRBRLHVOYPW-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 43891818
N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415808
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-phenoxyphenyl)acetamide
CID 19798493
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 3289227
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 19798448
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 45373181
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-ethylphenyl)acetamide
CID 45373180

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (CID 45373189) is N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is ZZPJRBRLHVOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-22(13-19(23)21-18-8-6-7-17(20)14(18)3)27(24,25)16-11-9-15(10-12-16)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 410.92 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 45373189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).