N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C13H10ClN5O2S — CID 86858047

IUPACN-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2-n2cnnn2)c(Cl)c1
InChIInChI=1S/C13H10ClN5O2S/c1-21-8-2-3-10(9(14)6-8)16-13(20)12-11(4-5-22-12)19-7-15-17-18-19/h2-7H,1H3,(H,16,20)
InChIKeyOJYVWXVUFWPKMU-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.64
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 86858047) has the molecular formula C13H10ClN5O2S and a molecular weight of 335.78 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID86858047
Molecular FormulaC13H10ClN5O2S
Molecular Weight335.78 g/mol
Exact Mass335.02
IUPAC NameN-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2-n2cnnn2)c(Cl)c1
InChIInChI=1S/C13H10ClN5O2S/c1-21-8-2-3-10(9(14)6-8)16-13(20)12-11(4-5-22-12)19-7-15-17-18-19/h2-7H,1H3,(H,16,20)
InChIKeyOJYVWXVUFWPKMU-UHFFFAOYSA-N
XLogP2.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55805183
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 78928244
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43474473
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55644744
3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
CID 43356470
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55704915

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 86858047) is N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2-n2cnnn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is OJYVWXVUFWPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2S/c1-21-8-2-3-10(9(14)6-8)16-13(20)12-11(4-5-22-12)19-7-15-17-18-19/h2-7H,1H3,(H,16,20).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 335.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 86858047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).