4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide

C15H25N3O2S — CID 129318501

IUPAC4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide
SMILESCCCNC(=O)c1scc(C)c1NC(=O)C(C)NCCC
InChIInChI=1S/C15H25N3O2S/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRVSDWBDOMFJQLJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.52
Rot. Bonds8

About 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide

4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide (PubChem CID 129318501) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide
PubChem CID129318501
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide
SMILESCCCNC(=O)c1scc(C)c1NC(=O)C(C)NCCC
InChIInChI=1S/C15H25N3O2S/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRVSDWBDOMFJQLJ-UHFFFAOYSA-N
XLogP2.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-N-propyl-3-[[(2RS)-2-(propylamino)propanoyl]amino]thiophene-2-carboxamide Hydrochloride (Articaine Acid Propionamide Hydrochloride)
CID 129318500
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide
CID 99826461
tert-butyl N-[2-[[3-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]amino]ethyl]-N-methylcarbamate
CID 176328924
3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
CID 130020086
3-(2-methylpropyl)-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
CID 135007549
3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
CID 135059869
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
3-amino-N,4-dimethylthiophene-2-carboxamide
CID 67264523
3-(2-methylpropanoylamino)-N-propylthiophene-2-carboxamide
CID 68573099
N-Benzyl-3-(butyrylamino)thiophene-2-carboxamide
CID 69315657
4-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 117689040
7-Ethenyl-3-methyl-8-prop-1-en-2-yl-1,2,3,4-tetrahydrothieno[3,2-e][1,4]diazepin-5-one
CID 123817515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide (CID 129318501) is 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide is CCCNC(=O)c1scc(C)c1NC(=O)C(C)NCCC.
What is the InChIKey of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide?
The InChIKey is RVSDWBDOMFJQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide?
4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide is sourced from PubChem (CID 129318501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).