N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H15N5OS — CID 6467008

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1csc2c1CCCC2
InChIInChI=1S/C16H15N5OS/c22-16(13-9-23-14-7-2-1-6-12(13)14)17-11-5-3-4-10(8-11)15-18-20-21-19-15/h3-5,8-9H,1-2,6-7H2,(H,17,22)(H,18,19,20,21)
InChIKeySBMIFOXYPMTYDW-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.06
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 6467008) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID6467008
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1csc2c1CCCC2
InChIInChI=1S/C16H15N5OS/c22-16(13-9-23-14-7-2-1-6-12(13)14)17-11-5-3-4-10(8-11)15-18-20-21-19-15/h3-5,8-9H,1-2,6-7H2,(H,17,22)(H,18,19,20,21)
InChIKeySBMIFOXYPMTYDW-UHFFFAOYSA-N
XLogP3.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 6467008) is N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1csc2c1CCCC2.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is SBMIFOXYPMTYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-16(13-9-23-14-7-2-1-6-12(13)14)17-11-5-3-4-10(8-11)15-18-20-21-19-15/h3-5,8-9H,1-2,6-7H2,(H,17,22)(H,18,19,20,21).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6467008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).