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

C13H22N2OS — CID 119501880

IUPAC4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCCNC)cc1CC
InChIInChI=1S/C13H22N2OS/c1-4-6-11-10(5-2)9-12(17-11)13(16)15-8-7-14-3/h9,14H,4-8H2,1-3H3,(H,15,16)
InChIKeySYMJPGGHUVMIHQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.21
Rot. Bonds7

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

4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide (PubChem CID 119501880) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
PubChem CID119501880
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCCNC)cc1CC
InChIInChI=1S/C13H22N2OS/c1-4-6-11-10(5-2)9-12(17-11)13(16)15-8-7-14-3/h9,14H,4-8H2,1-3H3,(H,15,16)
InChIKeySYMJPGGHUVMIHQ-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.21
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

methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834625
N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 55806350
4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
CID 64866994
4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 52607278
4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
CID 81042466
4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
CID 114549705
4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
CID 47114418
4-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119511984
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793352
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide (CID 119501880) is 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NCCNC)cc1CC.
What is the InChIKey of 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide?
The InChIKey is SYMJPGGHUVMIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-11-10(5-2)9-12(17-11)13(16)15-8-7-14-3/h9,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 119501880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).