2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H26ClN3O3S — CID 60513164

IUPAC2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN3O3S/c1-15(2)24(13-17-4-3-5-18(21)12-17)14-20(25)23-11-10-16-6-8-19(9-7-16)28(22,26)27/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyZFWMARYWXDMFJI-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.56
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 60513164) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID60513164
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(C)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN3O3S/c1-15(2)24(13-17-4-3-5-18(21)12-17)14-20(25)23-11-10-16-6-8-19(9-7-16)28(22,26)27/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyZFWMARYWXDMFJI-UHFFFAOYSA-N
XLogP2.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)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-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698664
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60512946
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111358024
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
N-[2-(3-chlorophenyl)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112995868

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 60513164) is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(C)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ZFWMARYWXDMFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-15(2)24(13-17-4-3-5-18(21)12-17)14-20(25)23-11-10-16-6-8-19(9-7-16)28(22,26)27/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 423.97 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 60513164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).