N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide

C17H26N2O2S — CID 46437044

IUPACN-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCCCC1CCCCC1
InChIInChI=1S/C17H26N2O2S/c20-16(8-11-19-17(21)15-9-12-22-13-15)18-10-4-7-14-5-2-1-3-6-14/h9,12-14H,1-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyWUNZIBNGCVPIRB-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.34
Rot. Bonds8

About N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 46437044) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID46437044
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCCCC1CCCCC1
InChIInChI=1S/C17H26N2O2S/c20-16(8-11-19-17(21)15-9-12-22-13-15)18-10-4-7-14-5-2-1-3-6-14/h9,12-14H,1-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyWUNZIBNGCVPIRB-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
N-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]thiophene-3-carboxamide
CID 18154527
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 46437044) is N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCCCC1CCCCC1.
What is the InChIKey of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is WUNZIBNGCVPIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-16(8-11-19-17(21)15-9-12-22-13-15)18-10-4-7-14-5-2-1-3-6-14/h9,12-14H,1-8,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 46437044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).