2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide

C13H19N3O3S — CID 70159876

IUPAC2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(=O)NC(=O)C(C)Nc1sc(C(C)C)cc1C(N)=O
InChIInChI=1S/C13H19N3O3S/c1-6(2)10-5-9(11(14)18)13(20-10)15-7(3)12(19)16-8(4)17/h5-7,15H,1-4H3,(H2,14,18)(H,16,17,19)
InChIKeyIMEWQIFIERFXPP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.43
Rot. Bonds5

About 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide

2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 70159876) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID70159876
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(=O)NC(=O)C(C)Nc1sc(C(C)C)cc1C(N)=O
InChIInChI=1S/C13H19N3O3S/c1-6(2)10-5-9(11(14)18)13(20-10)15-7(3)12(19)16-8(4)17/h5-7,15H,1-4H3,(H2,14,18)(H,16,17,19)
InChIKeyIMEWQIFIERFXPP-UHFFFAOYSA-N
XLogP1.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
2-Acetamido-5-propyl-3-thiophenecarboxamide
CID 1246587
2-[2-(Benzyl-isobutyryl-amino)-acetylamino]-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460381
N-(sec-butyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 3243636
2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]thiophene-3-carboxamide
CID 8083216
2-{2-[(Diphenylmethyl)amino]acetamido}thiophene-3-carboxamide
CID 16229593
2-[[2-[(3-Methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]thiophene-3-carboxamide
CID 16276663
2-{2-[Cyclopentyl-(4-methyl-benzoyl)-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 24792367
2-{2-[Cyclopentyl-(2-methyl-benzoyl)-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 24792389
5-Phenyl-2-(2-piperidylacetylamino)thiophene-3-carboxamide
CID 705195
2-amino-N-cyclopropyl-5-(methylthiomethyl)thiophene-3-carboxamide
CID 53383648

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide (CID 70159876) is 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide is CC(=O)NC(=O)C(C)Nc1sc(C(C)C)cc1C(N)=O.
What is the InChIKey of 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is IMEWQIFIERFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-6(2)10-5-9(11(14)18)13(20-10)15-7(3)12(19)16-8(4)17/h5-7,15H,1-4H3,(H2,14,18)(H,16,17,19).
What are the key properties of 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide?
2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 70159876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).