N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide

C20H23NOS — CID 2236040

IUPACN-cyclohexyl-3-phenylmethoxybenzenecarbothioamide
SMILESS=C(NC1CCCCC1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H23NOS/c23-20(21-18-11-5-2-6-12-18)17-10-7-13-19(14-17)22-15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,21,23)
InChIKeyJHDMZRMACWCQJR-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.86
Rot. Bonds5

About N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide

N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide (PubChem CID 2236040) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-3-phenylmethoxybenzenecarbothioamide
PubChem CID2236040
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC NameN-cyclohexyl-3-phenylmethoxybenzenecarbothioamide
SMILESS=C(NC1CCCCC1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H23NOS/c23-20(21-18-11-5-2-6-12-18)17-10-7-13-19(14-17)22-15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,21,23)
InChIKeyJHDMZRMACWCQJR-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
(2S)-3-cyclohexyl-2-[[3-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoic acid
CID 66912825
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
N-(2-adamantyl)-3-phenylmethoxybenzamide
CID 1314081
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
tert-butyl N-[1-(cyclohexylamino)-1-oxo-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 19846235
N-cyclohexyl-4-hydroxybenzenecarbothioamide
CID 1297275
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide?
The IUPAC name of N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide (CID 2236040) is N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide.
What is the SMILES notation for N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide?
The canonical SMILES for N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide is S=C(NC1CCCCC1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide?
The InChIKey is JHDMZRMACWCQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c23-20(21-18-11-5-2-6-12-18)17-10-7-13-19(14-17)22-15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,21,23).
What are the key properties of N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide?
N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide has a molecular weight of 325.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide is sourced from PubChem (CID 2236040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).