4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

C12H21ClN2OS — CID 120829701

IUPAC4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NCC(C)NC)sc1C.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-5-10-6-11(16-9(10)3)12(15)14-7-8(2)13-4;/h6,8,13H,5,7H2,1-4H3,(H,14,15);1H
InChIKeyZKRBUMKQVVFUJQ-UHFFFAOYSA-N
MW276.83 g/mol
LogP2.38
Rot. Bonds5

About 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120829701) has the molecular formula C12H21ClN2OS and a molecular weight of 276.83 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120829701
Molecular FormulaC12H21ClN2OS
Molecular Weight276.83 g/mol
Exact Mass276.11
IUPAC Name4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NCC(C)NC)sc1C.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-5-10-6-11(16-9(10)3)12(15)14-7-8(2)13-4;/h6,8,13H,5,7H2,1-4H3,(H,14,15);1H
InChIKeyZKRBUMKQVVFUJQ-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 32730275
1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120829599
3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367795
N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120832251
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
4-ethyl-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 31617365
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 120829701) is 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is CCc1cc(C(=O)NCC(C)NC)sc1C.Cl.
What is the InChIKey of 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ZKRBUMKQVVFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.ClH/c1-5-10-6-11(16-9(10)3)12(15)14-7-8(2)13-4;/h6,8,13H,5,7H2,1-4H3,(H,14,15);1H.
What are the key properties of 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 276.83 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120829701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).