2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

C20H17ClN2O5S2 — CID 55791868

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)s1
InChIInChI=1S/C20H17ClN2O5S2/c21-15-5-1-13(2-6-15)20(25)14-3-7-16(8-4-14)28-12-18(24)23-11-17-9-10-19(29-17)30(22,26)27/h1-10H,11-12H2,(H,23,24)(H2,22,26,27)
InChIKeyWKRMCIYVIKUBML-UHFFFAOYSA-N
MW464.95 g/mol
LogP2.98
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (PubChem CID 55791868) has the molecular formula C20H17ClN2O5S2 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
PubChem CID55791868
Molecular FormulaC20H17ClN2O5S2
Molecular Weight464.95 g/mol
Exact Mass464.03
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)s1
InChIInChI=1S/C20H17ClN2O5S2/c21-15-5-1-13(2-6-15)20(25)14-3-7-16(8-4-14)28-12-18(24)23-11-17-9-10-19(29-17)30(22,26)27/h1-10H,11-12H2,(H,23,24)(H2,22,26,27)
InChIKeyWKRMCIYVIKUBML-UHFFFAOYSA-N
XLogP2.98
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]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-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 32775706
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55443698
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 41248093
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
2-(2-chloro-6-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18229081
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 55665042
2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 55524068
N-[[5-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793693

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (CID 55791868) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)s1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The InChIKey is WKRMCIYVIKUBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S2/c21-15-5-1-13(2-6-15)20(25)14-3-7-16(8-4-14)28-12-18(24)23-11-17-9-10-19(29-17)30(22,26)27/h1-10H,11-12H2,(H,23,24)(H2,22,26,27).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide has a molecular weight of 464.95 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 55791868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).