N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C14H16N2O3S — CID 79395346

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1sccc1C#CCO)NC1CC1
InChIInChI=1S/C14H16N2O3S/c17-8-1-2-10-6-9-20-13(10)14(19)15-7-5-12(18)16-11-3-4-11/h6,9,11,17H,3-5,7-8H2,(H,15,19)(H,16,18)
InChIKeyGVCDCGVSDZWKTO-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.49
Rot. Bonds5

About N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 79395346) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID79395346
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1sccc1C#CCO)NC1CC1
InChIInChI=1S/C14H16N2O3S/c17-8-1-2-10-6-9-20-13(10)14(19)15-7-5-12(18)16-11-3-4-11/h6,9,11,17H,3-5,7-8H2,(H,15,19)(H,16,18)
InChIKeyGVCDCGVSDZWKTO-UHFFFAOYSA-N
XLogP0.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[3-(cyclopropylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 79395534
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 55238972
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570
3-(3-aminoprop-1-ynyl)-N-[3-(methylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 55238799
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methoxyethoxy)ethyl]thiophene-2-carboxamide
CID 63796096
3-(3-hydroxyprop-1-ynyl)-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 115521772
3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 64668058
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
CID 63801612
N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 64921671
3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide
CID 63860807
3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 63796233
3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
CID 114550678

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 79395346) is N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is O=C(CCNC(=O)c1sccc1C#CCO)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is GVCDCGVSDZWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-8-1-2-10-6-9-20-13(10)14(19)15-7-5-12(18)16-11-3-4-11/h6,9,11,17H,3-5,7-8H2,(H,15,19)(H,16,18).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 79395346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).