N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

C14H12N6O2S — CID 134042808

IUPACN-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cn1cnnn1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H12N6O2S/c21-13(8-20-9-15-18-19-20)16-10-3-1-4-11(7-10)17-14(22)12-5-2-6-23-12/h1-7,9H,8H2,(H,16,21)(H,17,22)
InChIKeyPNHBHQIWRJPZKD-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.63
Rot. Bonds5

About N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 134042808) has the molecular formula C14H12N6O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID134042808
Molecular FormulaC14H12N6O2S
Molecular Weight328.36 g/mol
Exact Mass328.07
IUPAC NameN-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cn1cnnn1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H12N6O2S/c21-13(8-20-9-15-18-19-20)16-10-3-1-4-11(7-10)17-14(22)12-5-2-6-23-12/h1-7,9H,8H2,(H,16,21)(H,17,22)
InChIKeyPNHBHQIWRJPZKD-UHFFFAOYSA-N
XLogP1.63
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
CID 75387931
N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31521049
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[3-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 46553213
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31518712
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34548469

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 134042808) is N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(Cn1cnnn1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is PNHBHQIWRJPZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2S/c21-13(8-20-9-15-18-19-20)16-10-3-1-4-11(7-10)17-14(22)12-5-2-6-23-12/h1-7,9H,8H2,(H,16,21)(H,17,22).
What are the key properties of N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 134042808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).