N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide

C13H18N6O2S — CID 50969036

IUPACN-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C13H18N6O2S/c1-13(2,15-11(20)9-5-4-8-22-9)12(21)14-7-3-6-10-16-18-19-17-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,21)(H,15,20)(H,16,17,18,19)
InChIKeyQUQYPNWTXIOJLG-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.52
Rot. Bonds7

About N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 50969036) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
PubChem CID50969036
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C13H18N6O2S/c1-13(2,15-11(20)9-5-4-8-22-9)12(21)14-7-3-6-10-16-18-19-17-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,21)(H,15,20)(H,16,17,18,19)
InChIKeyQUQYPNWTXIOJLG-UHFFFAOYSA-N
XLogP0.52
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[3-(4-fluoroanilino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50952323
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CID 119764489
N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 56719603
N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide
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N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
CID 64517630
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 131908040
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide (CID 50969036) is N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)NCCCc1nn[nH]n1.
What is the InChIKey of N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is QUQYPNWTXIOJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-13(2,15-11(20)9-5-4-8-22-9)12(21)14-7-3-6-10-16-18-19-17-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,21)(H,15,20)(H,16,17,18,19).
What are the key properties of N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50969036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).