4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide

C16H24N2OS — CID 80586222

IUPAC4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NCC1CCCS1
InChIInChI=1S/C16H24N2OS/c1-3-8-17-15-10-12(2)6-7-14(15)16(19)18-11-13-5-4-9-20-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyVLVQXJMVKQWYGM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.44
Rot. Bonds6

About 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide

4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 80586222) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
PubChem CID80586222
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NCC1CCCS1
InChIInChI=1S/C16H24N2OS/c1-3-8-17-15-10-12(2)6-7-14(15)16(19)18-11-13-5-4-9-20-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyVLVQXJMVKQWYGM-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
CID 107415255
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81246016
4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
CID 83025152
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
CID 80585073
5-(propylamino)-N-(thiolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624337
N-(cyclobutylmethyl)-N-ethyl-4-methyl-2-(propylamino)benzamide
CID 107401376

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide (CID 80586222) is 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide is CCCNc1cc(C)ccc1C(=O)NCC1CCCS1.
What is the InChIKey of 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is VLVQXJMVKQWYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-8-17-15-10-12(2)6-7-14(15)16(19)18-11-13-5-4-9-20-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide?
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 80586222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).