N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide

C17H22N2OS — CID 62176701

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C17H22N2OS/c1-4-11-18-15-8-6-5-7-14(15)17(20)19-13(3)16-10-9-12(2)21-16/h5-10,13,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyXWZAZUNHHNIQFT-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide

N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide (PubChem CID 62176701) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
PubChem CID62176701
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C17H22N2OS/c1-4-11-18-15-8-6-5-7-14(15)17(20)19-13(3)16-10-9-12(2)21-16/h5-10,13,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyXWZAZUNHHNIQFT-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 63107753
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 61477645
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 62174346
3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 62170551
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 106501543
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
CID 62174910

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide (CID 62176701) is N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide?
The InChIKey is XWZAZUNHHNIQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-11-18-15-8-6-5-7-14(15)17(20)19-13(3)16-10-9-12(2)21-16/h5-10,13,18H,4,11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide?
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide has a molecular weight of 302.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide is sourced from PubChem (CID 62176701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).