3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride

C15H19ClN2OS — CID 119796744

IUPAC3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)c2cccc(N)c2)s1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-10(8-14-7-6-11(2)19-14)17-15(18)12-4-3-5-13(16)9-12;/h3-7,9-10H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyHNDGOCAYVGOLSQ-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.42
Rot. Bonds4

About 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride

3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride (PubChem CID 119796744) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
PubChem CID119796744
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)c2cccc(N)c2)s1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-10(8-14-7-6-11(2)19-14)17-15(18)12-4-3-5-13(16)9-12;/h3-7,9-10H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyHNDGOCAYVGOLSQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.42
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

4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
CID 107030799
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
5-(3-aminoprop-1-ynyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-3-carboxamide
CID 79691917
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
methyl 3-[(3-aminobenzoyl)amino]butanoate;hydrochloride
CID 119695196
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 138992320
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride (CID 119796744) is 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride is Cc1ccc(CC(C)NC(=O)c2cccc(N)c2)s1.Cl.
What is the InChIKey of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride?
The InChIKey is HNDGOCAYVGOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c1-10(8-14-7-6-11(2)19-14)17-15(18)12-4-3-5-13(16)9-12;/h3-7,9-10H,8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride?
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119796744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).