4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide

C17H22N2OS — CID 60965034

IUPAC4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
SMILESCCC(NCCNC(=O)c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-15(16-5-4-12-21-16)18-10-11-19-17(20)14-8-6-13(2)7-9-14/h4-9,12,15,18H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyGNCZOJZDQBKNOL-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.53
Rot. Bonds7

About 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide

4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide (PubChem CID 60965034) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
PubChem CID60965034
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
SMILESCCC(NCCNC(=O)c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-15(16-5-4-12-21-16)18-10-11-19-17(20)14-8-6-13(2)7-9-14/h4-9,12,15,18H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyGNCZOJZDQBKNOL-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.53
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-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide
CID 60966154
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-4-methylbenzamide
CID 60965771
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
CID 64920352
N-(2-methoxyethyl)-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964517
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[2-(1-cyanobutan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880689
N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
CID 43787656
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide (CID 60965034) is 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide is CCC(NCCNC(=O)c1ccc(C)cc1)c1cccs1.
What is the InChIKey of 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide?
The InChIKey is GNCZOJZDQBKNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-15(16-5-4-12-21-16)18-10-11-19-17(20)14-8-6-13(2)7-9-14/h4-9,12,15,18H,3,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide?
4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide has a molecular weight of 302.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide is sourced from PubChem (CID 60965034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).