N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide

C17H24N2OS — CID 61122787

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C(N)=S)C2CCCCC2)c1
InChIInChI=1S/C17H24N2OS/c1-11-8-9-12(2)14(10-11)17(20)19-15(16(18)21)13-6-4-3-5-7-13/h8-10,13,15H,3-7H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyOTLMZQZCOJPPTB-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.27
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide (PubChem CID 61122787) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
PubChem CID61122787
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C(N)=S)C2CCCCC2)c1
InChIInChI=1S/C17H24N2OS/c1-11-8-9-12(2)14(10-11)17(20)19-15(16(18)21)13-6-4-3-5-7-13/h8-10,13,15H,3-7H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyOTLMZQZCOJPPTB-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-4-methylbenzamide
CID 61122205
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
CID 61122011
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-5-methylfuran-2-carboxamide
CID 61123403
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-methylphenyl)urea
CID 61124232
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
CID 61123788
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-bromo-3-methylbenzamide
CID 114023827

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide (CID 61122787) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC(C(N)=S)C2CCCCC2)c1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide?
The InChIKey is OTLMZQZCOJPPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-8-9-12(2)14(10-11)17(20)19-15(16(18)21)13-6-4-3-5-7-13/h8-10,13,15H,3-7H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide has a molecular weight of 304.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 61122787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).