N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H21ClN2O4S2 — CID 39735566

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21ClN2O4S2/c1-14-4-7-16(8-5-14)23-30(26,27)19-12-15(6-10-18(19)28-3)21(25)24(2)13-17-9-11-20(22)29-17/h4-12,23H,13H2,1-3H3
InChIKeyLQDGWTVPCHTTGF-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.79
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 39735566) has the molecular formula C21H21ClN2O4S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID39735566
Molecular FormulaC21H21ClN2O4S2
Molecular Weight465.00 g/mol
Exact Mass464.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21ClN2O4S2/c1-14-4-7-16(8-5-14)23-30(26,27)19-12-15(6-10-18(19)28-3)21(25)24(2)13-17-9-11-20(22)29-17/h4-12,23H,13H2,1-3H3
InChIKeyLQDGWTVPCHTTGF-UHFFFAOYSA-N
XLogP4.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide 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-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27795629
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 17433061
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
N-(1H-benzimidazol-2-ylmethyl)-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36518051
4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
CID 9493691
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
N-[(1R)-1-cyclopropylethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 51648761
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
4-methoxy-N-methyl-N-(4-methylcyclohexyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27165164
ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56548086
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 39735566) is N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is LQDGWTVPCHTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S2/c1-14-4-7-16(8-5-14)23-30(26,27)19-12-15(6-10-18(19)28-3)21(25)24(2)13-17-9-11-20(22)29-17/h4-12,23H,13H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 465.00 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 39735566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).