1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide

C16H23N5O2S — CID 94813373

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1cccs1
InChIInChI=1S/C16H23N5O2S/c1-11(2)8-12(14-6-5-7-24-14)17-16(23)13-9-21(19-18-13)10-15(22)20(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,17,23)/t12-/m1/s1
InChIKeyUOMPLPNHOWOWDJ-GFCCVEGCSA-N
MW349.46 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide (PubChem CID 94813373) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide
PubChem CID94813373
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1cccs1
InChIInChI=1S/C16H23N5O2S/c1-11(2)8-12(14-6-5-7-24-14)17-16(23)13-9-21(19-18-13)10-15(22)20(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,17,23)/t12-/m1/s1
InChIKeyUOMPLPNHOWOWDJ-GFCCVEGCSA-N
XLogP1.95
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide with MolForge

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
CID 95343414
3-[[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 119169751
methyl 3-[(1-benzyltriazole-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 134033627
2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982
1-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-N-[(1R)-1-thiophen-2-ylpropyl]triazole-4-carboxamide
CID 100686853
1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
CID 95295495
1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45223370
2-[[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119225272
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
1-[2-(dimethylamino)-2-oxoethyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 47780397
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide (CID 94813373) is 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide is CC(C)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1cccs1.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide?
The InChIKey is UOMPLPNHOWOWDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11(2)8-12(14-6-5-7-24-14)17-16(23)13-9-21(19-18-13)10-15(22)20(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,17,23)/t12-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide is sourced from PubChem (CID 94813373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).