N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide

C15H20N2OS — CID 62971153

IUPACN-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCC1)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H20N2OS/c1-17(14(18)9-11-5-2-3-6-11)13-8-4-7-12(10-13)15(16)19/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,16,19)
InChIKeyHLVIDPORGQCCSF-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.86
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide

N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide (PubChem CID 62971153) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
PubChem CID62971153
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCC1)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H20N2OS/c1-17(14(18)9-11-5-2-3-6-11)13-8-4-7-12(10-13)15(16)19/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,16,19)
InChIKeyHLVIDPORGQCCSF-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.86
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-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62971169
2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 76932669
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80722470
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 123790162
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
CID 62971504
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
N-(3-carbamothioylphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55141561
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-(thian-4-yl)acetamide
CID 83135893

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide (CID 62971153) is N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide is CN(C(=O)CC1CCCC1)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide?
The InChIKey is HLVIDPORGQCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(14(18)9-11-5-2-3-6-11)13-8-4-7-12(10-13)15(16)19/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,16,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide?
N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide has a molecular weight of 276.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 62971153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).