N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C21H21ClN2O4S2 — CID 46415949

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)c3ccc(Cl)s3)c2)cc1
InChIInChI=1S/C21H21ClN2O4S2/c1-14(19-11-12-20(22)29-19)23-21(25)15-5-4-6-18(13-15)30(26,27)24(2)16-7-9-17(28-3)10-8-16/h4-14H,1-3H3,(H,23,25)
InChIKeyUPWQSFQGXCDRLP-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.73
Rot. Bonds7

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 46415949) has the molecular formula C21H21ClN2O4S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID46415949
Molecular FormulaC21H21ClN2O4S2
Molecular Weight465.00 g/mol
Exact Mass464.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)c3ccc(Cl)s3)c2)cc1
InChIInChI=1S/C21H21ClN2O4S2/c1-14(19-11-12-20(22)29-19)23-21(25)15-5-4-6-18(13-15)30(26,27)24(2)16-7-9-17(28-3)10-8-16/h4-14H,1-3H3,(H,23,25)
InChIKeyUPWQSFQGXCDRLP-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]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

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 42907074
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55952896
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 46415949) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)c3ccc(Cl)s3)c2)cc1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is UPWQSFQGXCDRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S2/c1-14(19-11-12-20(22)29-19)23-21(25)15-5-4-6-18(13-15)30(26,27)24(2)16-7-9-17(28-3)10-8-16/h4-14H,1-3H3,(H,23,25).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 465.00 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 46415949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).