N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide

C18H21ClN2O4S — CID 113071915

IUPACN-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-14(22)20-11-12-21(26(2,23)24)17-7-9-18(10-8-17)25-13-15-3-5-16(19)6-4-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyXCMHZORIDVCCNW-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.82
Rot. Bonds8

About N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide

N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide (PubChem CID 113071915) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide
PubChem CID113071915
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-14(22)20-11-12-21(26(2,23)24)17-7-9-18(10-8-17)25-13-15-3-5-16(19)6-4-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyXCMHZORIDVCCNW-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070248
methyl 4-[3-(4-chlorophenoxy)propyl-methylsulfonylamino]benzoate
CID 56539602
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide (CID 113071915) is N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide is CC(=O)NCCN(c1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide?
The InChIKey is XCMHZORIDVCCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-14(22)20-11-12-21(26(2,23)24)17-7-9-18(10-8-17)25-13-15-3-5-16(19)6-4-15/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide?
N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide is sourced from PubChem (CID 113071915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).