2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H16N6O3S2 — CID 39018282

IUPAC2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc2c1CCCC2
InChIInChI=1S/C16H16N6O3S2/c17-14(24)13-9-4-1-2-5-10(9)27-15(13)18-11(23)8-21-16(25)22(20-19-21)12-6-3-7-26-12/h3,6-7H,1-2,4-5,8H2,(H2,17,24)(H,18,23)
InChIKeyBNEMTNCYYVSJFM-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.17
Rot. Bonds5

About 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 39018282) has the molecular formula C16H16N6O3S2 and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID39018282
Molecular FormulaC16H16N6O3S2
Molecular Weight404.48 g/mol
Exact Mass404.07
IUPAC Name2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc2c1CCCC2
InChIInChI=1S/C16H16N6O3S2/c17-14(24)13-9-4-1-2-5-10(9)27-15(13)18-11(23)8-21-16(25)22(20-19-21)12-6-3-7-26-12/h3,6-7H,1-2,4-5,8H2,(H2,17,24)(H,18,23)
InChIKeyBNEMTNCYYVSJFM-UHFFFAOYSA-N
XLogP1.17
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 38934612
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8552837
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
2-(3-bromopropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 154375155
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 95801911
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1222102
2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 60585829
2-[[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 36987378
2-[[2-(2H-tetrazol-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 110502633

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 39018282) is 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc2c1CCCC2.
What is the InChIKey of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is BNEMTNCYYVSJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S2/c17-14(24)13-9-4-1-2-5-10(9)27-15(13)18-11(23)8-21-16(25)22(20-19-21)12-6-3-7-26-12/h3,6-7H,1-2,4-5,8H2,(H2,17,24)(H,18,23).
What are the key properties of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 39018282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).