2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide

C15H18N2OS — CID 62509065

IUPAC2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCc1ccc(N)c(C(=O)NC(C)Cc2ccsc2)c1
InChIInChI=1S/C15H18N2OS/c1-10-3-4-14(16)13(7-10)15(18)17-11(2)8-12-5-6-19-9-12/h3-7,9,11H,8,16H2,1-2H3,(H,17,18)
InChIKeyLTGDPLLFILSQDE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide

2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 62509065) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID62509065
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCc1ccc(N)c(C(=O)NC(C)Cc2ccsc2)c1
InChIInChI=1S/C15H18N2OS/c1-10-3-4-14(16)13(7-10)15(18)17-11(2)8-12-5-6-19-9-12/h3-7,9,11H,8,16H2,1-2H3,(H,17,18)
InChIKeyLTGDPLLFILSQDE-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
CID 55974194
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
CID 113375955
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 115677734
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 62509065) is 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide is Cc1ccc(N)c(C(=O)NC(C)Cc2ccsc2)c1.
What is the InChIKey of 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is LTGDPLLFILSQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-3-4-14(16)13(7-10)15(18)17-11(2)8-12-5-6-19-9-12/h3-7,9,11H,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 62509065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).