N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide

C19H30N2O2S — CID 55806350

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCCNC(=O)C2CCCCC2)cc1CC
InChIInChI=1S/C19H30N2O2S/c1-3-8-16-14(4-2)13-17(24-16)19(23)21-12-11-20-18(22)15-9-6-5-7-10-15/h13,15H,3-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTVVVMPTXAPQLIH-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.69
Rot. Bonds8

About N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide

N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 55806350) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID55806350
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCCNC(=O)C2CCCCC2)cc1CC
InChIInChI=1S/C19H30N2O2S/c1-3-8-16-14(4-2)13-17(24-16)19(23)21-12-11-20-18(22)15-9-6-5-7-10-15/h13,15H,3-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTVVVMPTXAPQLIH-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.69
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

4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
4-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119511984
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
CID 114549705
4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
CID 47114418
(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834625
N-propylcyclooctanecarboxamide
CID 65022755
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 75446753
N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
CID 108538987
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 9035628

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide (CID 55806350) is N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NCCNC(=O)C2CCCCC2)cc1CC.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is TVVVMPTXAPQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-3-8-16-14(4-2)13-17(24-16)19(23)21-12-11-20-18(22)15-9-6-5-7-10-15/h13,15H,3-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 55806350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).