N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide

C18H28N2OS — CID 112841502

IUPACN-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(CN1CCCCC1)NC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C18H28N2OS/c1-14(2)22-17-9-7-16(8-10-17)18(21)19-15(3)13-20-11-5-4-6-12-20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyUJDCILOWWRZJEP-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.79
Rot. Bonds6

About N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide

N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 112841502) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
PubChem CID112841502
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(CN1CCCCC1)NC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C18H28N2OS/c1-14(2)22-17-9-7-16(8-10-17)18(21)19-15(3)13-20-11-5-4-6-12-20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyUJDCILOWWRZJEP-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
CID 90164454
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
6-methoxy-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95857759
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide (CID 112841502) is N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide is CC(CN1CCCCC1)NC(=O)c1ccc(SC(C)C)cc1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is UJDCILOWWRZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-14(2)22-17-9-7-16(8-10-17)18(21)19-15(3)13-20-11-5-4-6-12-20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21).
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide?
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 320.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 112841502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).