3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide

C15H18N2OS — CID 43706677

IUPAC3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1C)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-3-12(14-5-4-8-19-14)17-13-7-6-11(15(16)18)9-10(13)2/h4-9,12,17H,3H2,1-2H3,(H2,16,18)
InChIKeyKGNSEFXHOZKLLP-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.72
Rot. Bonds5

About 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide

3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide (PubChem CID 43706677) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide.

Molecular Properties

Compound Name3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
PubChem CID43706677
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1C)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-3-12(14-5-4-8-19-14)17-13-7-6-11(15(16)18)9-10(13)2/h4-9,12,17H,3H2,1-2H3,(H2,16,18)
InChIKeyKGNSEFXHOZKLLP-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
CID 43706964
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107928719
3-methyl-4-(4-methylpentan-2-ylamino)benzamide
CID 43706917
4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
CID 60965034
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
3-chloro-4-[(1-thiophen-2-ylbutylamino)methyl]benzamide
CID 102664298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
The IUPAC name of 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide (CID 43706677) is 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide.
What is the SMILES notation for 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
The canonical SMILES for 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide is CCC(Nc1ccc(C(N)=O)cc1C)c1cccs1.
What is the InChIKey of 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
The InChIKey is KGNSEFXHOZKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-12(14-5-4-8-19-14)17-13-7-6-11(15(16)18)9-10(13)2/h4-9,12,17H,3H2,1-2H3,(H2,16,18).
What are the key properties of 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide is sourced from PubChem (CID 43706677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).