N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H16N6O2S — CID 55497525

IUPACN-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H16N6O2S/c1-10(17-16(24)13-7-4-8-25-13)15(23)18-12-6-3-5-11(9-12)14-19-20-21-22(14)2/h3-10H,1-2H3,(H,17,24)(H,18,23)
InChIKeyNKYKUQXPHVWJFD-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.70
Rot. Bonds5

About N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55497525) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55497525
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC NameN-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H16N6O2S/c1-10(17-16(24)13-7-4-8-25-13)15(23)18-12-6-3-5-11(9-12)14-19-20-21-22(14)2/h3-10H,1-2H3,(H,17,24)(H,18,23)
InChIKeyNKYKUQXPHVWJFD-UHFFFAOYSA-N
XLogP1.70
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
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N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
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2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
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2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
4-methoxy-N-[3-methyl-1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55497525) is N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is NKYKUQXPHVWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-10(17-16(24)13-7-4-8-25-13)15(23)18-12-6-3-5-11(9-12)14-19-20-21-22(14)2/h3-10H,1-2H3,(H,17,24)(H,18,23).
What are the key properties of N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55497525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).