N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

C15H14ClN5O2S — CID 51044801

IUPACN-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-n2cnnn2)sc(C)c1C
InChIInChI=1S/C15H14ClN5O2S/c1-8-9(2)24-15(21-7-17-19-20-21)13(8)14(22)18-11-6-10(16)4-5-12(11)23-3/h4-7H,1-3H3,(H,18,22)
InChIKeyFMCJWKQFHFAQJS-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.25
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 51044801) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID51044801
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-n2cnnn2)sc(C)c1C
InChIInChI=1S/C15H14ClN5O2S/c1-8-9(2)24-15(21-7-17-19-20-21)13(8)14(22)18-11-6-10(16)4-5-12(11)23-3/h4-7H,1-3H3,(H,18,22)
InChIKeyFMCJWKQFHFAQJS-UHFFFAOYSA-N
XLogP3.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
methyl 2-[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 125434232
4,5-dimethyl-N-(4-sulfamoylphenyl)-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 127254518
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 50820638
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-4-(tetrazol-1-yl)benzamide
CID 55771254
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
CID 125431047
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 51044801) is N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(-n2cnnn2)sc(C)c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is FMCJWKQFHFAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-8-9(2)24-15(21-7-17-19-20-21)13(8)14(22)18-11-6-10(16)4-5-12(11)23-3/h4-7H,1-3H3,(H,18,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 51044801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).