N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide

C16H24N2O2S — CID 134060864

IUPACN-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCN(C(=O)CCCNC(=O)c1cccs1)C1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-2-18(13-7-3-4-8-13)15(19)10-5-11-17-16(20)14-9-6-12-21-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,17,20)
InChIKeyFMRALHOASAOHAA-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.05
Rot. Bonds7

About N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 134060864) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID134060864
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCN(C(=O)CCCNC(=O)c1cccs1)C1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-2-18(13-7-3-4-8-13)15(19)10-5-11-17-16(20)14-9-6-12-21-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,17,20)
InChIKeyFMRALHOASAOHAA-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 46812642
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
2-[methyl-[4-(thiophene-2-carbonylamino)butanoyl]amino]acetic acid
CID 43171140
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
N-[4-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 51315143
N-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 78795560
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875306
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 78793932

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide (CID 134060864) is N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide is CCN(C(=O)CCCNC(=O)c1cccs1)C1CCCC1.
What is the InChIKey of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is FMRALHOASAOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18(13-7-3-4-8-13)15(19)10-5-11-17-16(20)14-9-6-12-21-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,17,20).
What are the key properties of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 134060864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).