N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

C16H17N5O2S — CID 125433878

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NCCc2ccc(O)cc2)c1C
InChIInChI=1S/C16H17N5O2S/c1-10-11(2)24-16(21-9-18-19-20-21)14(10)15(23)17-8-7-12-3-5-13(22)6-4-12/h3-6,9,22H,7-8H2,1-2H3,(H,17,23)
InChIKeyVNHNOHCHDRBPTG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 125433878) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID125433878
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NCCc2ccc(O)cc2)c1C
InChIInChI=1S/C16H17N5O2S/c1-10-11(2)24-16(21-9-18-19-20-21)14(10)15(23)17-8-7-12-3-5-13(22)6-4-12/h3-6,9,22H,7-8H2,1-2H3,(H,17,23)
InChIKeyVNHNOHCHDRBPTG-UHFFFAOYSA-N
XLogP2.02
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-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

4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432731
4,5-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432851
4,5-dimethyl-2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]thiophene-3-carboxamide
CID 125431094
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432810
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 163310420
[4,5-dimethyl-2-(tetrazol-1-yl)thiophen-3-yl]-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone;formic acid
CID 171687099
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 127254518
4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 125433837
4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 9362533

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 125433878) is N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)NCCc2ccc(O)cc2)c1C.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is VNHNOHCHDRBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-11(2)24-16(21-9-18-19-20-21)14(10)15(23)17-8-7-12-3-5-13(22)6-4-12/h3-6,9,22H,7-8H2,1-2H3,(H,17,23).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 125433878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).