1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide

C16H22N2O2S — CID 107735318

IUPAC1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CCCC1)c1cc(O)ccc1C
InChIInChI=1S/C16H22N2O2S/c1-3-18(13-10-12(19)7-6-11(13)2)15(20)16(14(17)21)8-4-5-9-16/h6-7,10,19H,3-5,8-9H2,1-2H3,(H2,17,21)
InChIKeyVNUJOBBTNBCCKN-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.90
Rot. Bonds4

About 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide

1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 107735318) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID107735318
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CCCC1)c1cc(O)ccc1C
InChIInChI=1S/C16H22N2O2S/c1-3-18(13-10-12(19)7-6-11(13)2)15(20)16(14(17)21)8-4-5-9-16/h6-7,10,19H,3-5,8-9H2,1-2H3,(H2,17,21)
InChIKeyVNUJOBBTNBCCKN-UHFFFAOYSA-N
XLogP2.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.90
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

1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 107735320
1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide
CID 107735352
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107179782
1-carbamothioyl-N-ethyl-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 80589247
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
1-carbamothioyl-N-ethyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 106935854
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,3-dimethylbutanamide
CID 107734495
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
(2S)-2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 107734446
4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide
CID 107734511

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide (CID 107735318) is 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide is CCN(C(=O)C1(C(N)=S)CCCC1)c1cc(O)ccc1C.
What is the InChIKey of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is VNUJOBBTNBCCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-18(13-10-12(19)7-6-11(13)2)15(20)16(14(17)21)8-4-5-9-16/h6-7,10,19H,3-5,8-9H2,1-2H3,(H2,17,21).
What are the key properties of 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107735318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).