N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

C18H21ClN2O4S — CID 112995875

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-13-6-7-16(25-2)17(10-13)26(23,24)21-12-18(22)20-9-8-14-4-3-5-15(19)11-14/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyYLCOIDJGUXVCIR-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.29
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (PubChem CID 112995875) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
PubChem CID112995875
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-13-6-7-16(25-2)17(10-13)26(23,24)21-12-18(22)20-9-8-14-4-3-5-15(19)11-14/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyYLCOIDJGUXVCIR-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112995874
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
N-[2-(3-chlorophenyl)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112995868
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
N-[2-(3-chlorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112995842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (CID 112995875) is N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is COc1ccc(C)cc1S(=O)(=O)NCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YLCOIDJGUXVCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-6-7-16(25-2)17(10-13)26(23,24)21-12-18(22)20-9-8-14-4-3-5-15(19)11-14/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112995875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).