3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide

C21H20N6O4S2 — CID 171727968

IUPAC3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C21H20N6O4S2/c1-3-31-17-9-7-16(8-10-17)27(2)33(29,30)18-11-12-32-19(18)21(28)22-15-6-4-5-14(13-15)20-23-25-26-24-20/h4-13H,3H2,1-2H3,(H,22,28)(H,23,24,25,26)
InChIKeyJPYWENWDBBLDSJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.40
Rot. Bonds8

About 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide

3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide (PubChem CID 171727968) has the molecular formula C21H20N6O4S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
PubChem CID171727968
Molecular FormulaC21H20N6O4S2
Molecular Weight484.56 g/mol
Exact Mass484.10
IUPAC Name3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C21H20N6O4S2/c1-3-31-17-9-7-16(8-10-17)27(2)33(29,30)18-11-12-32-19(18)21(28)22-15-6-4-5-14(13-15)20-23-25-26-24-20/h4-13H,3H2,1-2H3,(H,22,28)(H,23,24,25,26)
InChIKeyJPYWENWDBBLDSJ-UHFFFAOYSA-N
XLogP3.40
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide 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-[3-(diethylcarbamoyl)phenyl]-3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 171727981
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
CID 177379015
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-ethylthiophene-2-carboxamide
CID 53061891
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 95066242
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 50928100
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide (CID 171727968) is 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide is CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is JPYWENWDBBLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S2/c1-3-31-17-9-7-16(8-10-17)27(2)33(29,30)18-11-12-32-19(18)21(28)22-15-6-4-5-14(13-15)20-23-25-26-24-20/h4-13H,3H2,1-2H3,(H,22,28)(H,23,24,25,26).
What are the key properties of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 171727968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).