3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide

C16H24N2OS — CID 107298173

IUPAC3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCSC2)cc1C
InChIInChI=1S/C16H24N2OS/c1-3-7-17-15-5-4-14(9-12(15)2)16(19)18-10-13-6-8-20-11-13/h4-5,9,13,17H,3,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyXTOXRNGMQMJCSP-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.30
Rot. Bonds6

About 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide

3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide (PubChem CID 107298173) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
PubChem CID107298173
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCSC2)cc1C
InChIInChI=1S/C16H24N2OS/c1-3-7-17-15-5-4-14(9-12(15)2)16(19)18-10-13-6-8-20-11-13/h4-5,9,13,17H,3,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyXTOXRNGMQMJCSP-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
4-(ethylamino)-3-nitro-N-(thiolan-3-ylmethyl)benzamide
CID 107298199
2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298139
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298119

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide?
The IUPAC name of 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide (CID 107298173) is 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide is CCCNc1ccc(C(=O)NCC2CCSC2)cc1C.
What is the InChIKey of 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide?
The InChIKey is XTOXRNGMQMJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-7-17-15-5-4-14(9-12(15)2)16(19)18-10-13-6-8-20-11-13/h4-5,9,13,17H,3,6-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide?
3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide is sourced from PubChem (CID 107298173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).