N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide

C14H18N2O2S — CID 82829545

IUPACN-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C14H18N2O2S/c1-8-9(4-3-7-12(8)17)14(18)16-11-6-2-5-10(11)13(15)19/h3-4,7,10-11,17H,2,5-6H2,1H3,(H2,15,19)(H,16,18)
InChIKeyXIKUJXWDODBICB-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.89
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide

N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82829545) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
PubChem CID82829545
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C14H18N2O2S/c1-8-9(4-3-7-12(8)17)14(18)16-11-6-2-5-10(11)13(15)19/h3-4,7,10-11,17H,2,5-6H2,1H3,(H2,15,19)(H,16,18)
InChIKeyXIKUJXWDODBICB-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide (CID 82829545) is N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is XIKUJXWDODBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-9(4-3-7-12(8)17)14(18)16-11-6-2-5-10(11)13(15)19/h3-4,7,10-11,17H,2,5-6H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide?
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 278.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).