N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide

C19H23ClN2O3S — CID 113059789

IUPACN-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C19H23ClN2O3S/c1-15-18(20)9-6-10-19(15)22(16(2)23)13-12-21-26(24,25)14-11-17-7-4-3-5-8-17/h3-10,21H,11-14H2,1-2H3
InChIKeyQAVQAAPBNFKLRQ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.16
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide

N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide (PubChem CID 113059789) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
PubChem CID113059789
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C19H23ClN2O3S/c1-15-18(20)9-6-10-19(15)22(16(2)23)13-12-21-26(24,25)14-11-17-7-4-3-5-8-17/h3-10,21H,11-14H2,1-2H3
InChIKeyQAVQAAPBNFKLRQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113059791
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide (CID 113059789) is N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide?
The InChIKey is QAVQAAPBNFKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15-18(20)9-6-10-19(15)22(16(2)23)13-12-21-26(24,25)14-11-17-7-4-3-5-8-17/h3-10,21H,11-14H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide?
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113059789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).