N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide

C18H28N2OS — CID 119476399

IUPACN-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(SCC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C18H28N2OS/c1-18(2,3)13-4-10-16(11-5-13)22-12-17(21)20-15-8-6-14(19)7-9-15/h4-5,10-11,14-15H,6-9,12,19H2,1-3H3,(H,20,21)
InChIKeyMXWCMMRLLWXDTI-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.46
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide

N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide (PubChem CID 119476399) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
PubChem CID119476399
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(SCC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C18H28N2OS/c1-18(2,3)13-4-10-16(11-5-13)22-12-17(21)20-15-8-6-14(19)7-9-15/h4-5,10-11,14-15H,6-9,12,19H2,1-3H3,(H,20,21)
InChIKeyMXWCMMRLLWXDTI-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide (CID 119476399) is N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide is CC(C)(C)c1ccc(SCC(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The InChIKey is MXWCMMRLLWXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-18(2,3)13-4-10-16(11-5-13)22-12-17(21)20-15-8-6-14(19)7-9-15/h4-5,10-11,14-15H,6-9,12,19H2,1-3H3,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide?
N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide has a molecular weight of 320.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide is sourced from PubChem (CID 119476399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).