4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide

C16H20N2OS — CID 62165167

IUPAC4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCCNc1ccc(C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-2-10-17-14-7-5-13(6-8-14)16(19)18-11-9-15-4-3-12-20-15/h3-8,12,17H,2,9-11H2,1H3,(H,18,19)
InChIKeyNDKHMYUPLNVWRX-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.54
Rot. Bonds7

About 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide

4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 62165167) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID62165167
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCCNc1ccc(C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-2-10-17-14-7-5-13(6-8-14)16(19)18-11-9-15-4-3-12-20-15/h3-8,12,17H,2,9-11H2,1H3,(H,18,19)
InChIKeyNDKHMYUPLNVWRX-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
4-[(4-fluorophenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 27770451
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156
5-(propylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107374257
N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 111349841
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide (CID 62165167) is 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide is CCCNc1ccc(C(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is NDKHMYUPLNVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-10-17-14-7-5-13(6-8-14)16(19)18-11-9-15-4-3-12-20-15/h3-8,12,17H,2,9-11H2,1H3,(H,18,19).
What are the key properties of 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide?
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 62165167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).