N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C14H18N4O2S — CID 45351737

IUPACN-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H18N4O2S/c1-9(2)12(16-13(19)10-5-4-8-21-10)14(20)15-11-6-7-18(3)17-11/h4-9,12H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyNMKWSUZHBJMODJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.87
Rot. Bonds5

About N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 45351737) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID45351737
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H18N4O2S/c1-9(2)12(16-13(19)10-5-4-8-21-10)14(20)15-11-6-7-18(3)17-11/h4-9,12H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyNMKWSUZHBJMODJ-UHFFFAOYSA-N
XLogP1.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231009
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CID 51237886
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
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(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
CID 95322287
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160
N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 47321746
N-[3-methyl-1-[4-(1-methylimidazole-2-carbonyl)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613852
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 45351737) is N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)Nc1ccn(C)n1.
What is the InChIKey of N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is NMKWSUZHBJMODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(2)12(16-13(19)10-5-4-8-21-10)14(20)15-11-6-7-18(3)17-11/h4-9,12H,1-3H3,(H,16,19)(H,15,17,20).
What are the key properties of N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45351737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).