N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide

C15H18N2OS — CID 119500045

IUPACN-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCNCCNC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C15H18N2OS/c1-11-3-5-12(6-4-11)13-7-10-19-14(13)15(18)17-9-8-16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyPSXPXSONZWQYOK-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 119500045) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID119500045
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCNCCNC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C15H18N2OS/c1-11-3-5-12(6-4-11)13-7-10-19-14(13)15(18)17-9-8-16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyPSXPXSONZWQYOK-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.67
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

N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 51206987
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 51256105
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
(2S)-4-methyl-2-[[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120694342
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388104
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47143281

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 119500045) is N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide is CNCCNC(=O)c1sccc1-c1ccc(C)cc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is PSXPXSONZWQYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-3-5-12(6-4-11)13-7-10-19-14(13)15(18)17-9-8-16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 119500045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).