N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide

C15H20N2OS — CID 62955535

IUPACN-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CCCC2C(N)=S)c1
InChIInChI=1S/C15H20N2OS/c1-9-6-7-10(2)12(8-9)15(18)17-13-5-3-4-11(13)14(16)19/h6-8,11,13H,3-5H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyFEIHJZBQVHJLQP-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.49
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide

N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide (PubChem CID 62955535) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
PubChem CID62955535
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CCCC2C(N)=S)c1
InChIInChI=1S/C15H20N2OS/c1-9-6-7-10(2)12(8-9)15(18)17-13-5-3-4-11(13)14(16)19/h6-8,11,13H,3-5H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyFEIHJZBQVHJLQP-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.49
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-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221
N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62955877
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide
CID 112817281
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
CID 61122787
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide (CID 62955535) is N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2CCCC2C(N)=S)c1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide?
The InChIKey is FEIHJZBQVHJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-6-7-10(2)12(8-9)15(18)17-13-5-3-4-11(13)14(16)19/h6-8,11,13H,3-5H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide?
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide has a molecular weight of 276.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 62955535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).