N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide

C21H24N2O2S — CID 21041842

IUPACN-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(=S)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c24-20(15-25-19-9-5-2-6-10-19)23-21(26)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H2,22,23,24,26)
InChIKeyQJIJOYBQOVGDPR-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.63
Rot. Bonds5

About N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide

N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide (PubChem CID 21041842) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide
PubChem CID21041842
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(=S)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c24-20(15-25-19-9-5-2-6-10-19)23-21(26)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H2,22,23,24,26)
InChIKeyQJIJOYBQOVGDPR-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
methyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 692113
2-[4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]acetic acid
CID 28688595
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
propan-2-yl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 2185773
3-cyclohexyl-N-[(4-phenoxyphenyl)carbamothioyl]propanamide
CID 4934258
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-cyclohexylphenoxy)acetamide
CID 4507906
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 17115946

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide?
The IUPAC name of N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide (CID 21041842) is N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(=S)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide?
The InChIKey is QJIJOYBQOVGDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-20(15-25-19-9-5-2-6-10-19)23-21(26)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H2,22,23,24,26).
What are the key properties of N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide?
N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide has a molecular weight of 368.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide is sourced from PubChem (CID 21041842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).