N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide

C35H30ClN3O5S — CID 156572109

IUPACN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3ccc(C#N)cc23)cc1
InChIInChI=1S/C35H30ClN3O5S/c1-43-30-13-8-24(9-14-30)22-39(23-25-10-15-31(44-2)16-11-25)45(41,42)34-20-29(18-27-12-7-26(21-37)17-32(27)34)38-35(40)19-28-5-3-4-6-33(28)36/h3-18,20H,19,22-23H2,1-2H3,(H,38,40)
InChIKeyPCYMHHKEWCAWKW-UHFFFAOYSA-N
MW640.16 g/mol
LogP6.95
Rot. Bonds11

About N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide

N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide (PubChem CID 156572109) has the molecular formula C35H30ClN3O5S and a molecular weight of 640.16 g/mol. Its IUPAC name is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide
PubChem CID156572109
Molecular FormulaC35H30ClN3O5S
Molecular Weight640.16 g/mol
Exact Mass639.16
IUPAC NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3ccc(C#N)cc23)cc1
InChIInChI=1S/C35H30ClN3O5S/c1-43-30-13-8-24(9-14-30)22-39(23-25-10-15-31(44-2)16-11-25)45(41,42)34-20-29(18-27-12-7-26(21-37)17-32(27)34)38-35(40)19-28-5-3-4-6-33(28)36/h3-18,20H,19,22-23H2,1-2H3,(H,38,40)
InChIKeyPCYMHHKEWCAWKW-UHFFFAOYSA-N
XLogP6.95
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.16
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)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-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 164945470
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 156744532
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 156744545
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-chloro-1-(4-fluorophenyl)indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 164945464
2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
CID 2695486
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
N-benzyl-4-cyano-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]benzamide
CID 46056715
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
3-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 113139457
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide (CID 156572109) is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3ccc(C#N)cc23)cc1.
What is the InChIKey of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide?
The InChIKey is PCYMHHKEWCAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClN3O5S/c1-43-30-13-8-24(9-14-30)22-39(23-25-10-15-31(44-2)16-11-25)45(41,42)34-20-29(18-27-12-7-26(21-37)17-32(27)34)38-35(40)19-28-5-3-4-6-33(28)36/h3-18,20H,19,22-23H2,1-2H3,(H,38,40).
What are the key properties of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide?
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide has a molecular weight of 640.16 g/mol, XLogP of 6.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 156572109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).