2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide

C15H20N2OS — CID 63590526

IUPAC2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(C(N)=S)cc1)C1CCCC1
InChIInChI=1S/C15H20N2OS/c1-17(13-4-2-3-5-13)14(18)10-11-6-8-12(9-7-11)15(16)19/h6-9,13H,2-5,10H2,1H3,(H2,16,19)
InChIKeyZYECMIIWDPJYIA-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide

2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide (PubChem CID 63590526) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
PubChem CID63590526
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(C(N)=S)cc1)C1CCCC1
InChIInChI=1S/C15H20N2OS/c1-17(13-4-2-3-5-13)14(18)10-11-6-8-12(9-7-11)15(16)19/h6-9,13H,2-5,10H2,1H3,(H2,16,19)
InChIKeyZYECMIIWDPJYIA-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.26
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

2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 63589266
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
CID 63590160
2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
CID 63956825
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
CID 63591247
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
2-(4-carbamothioylphenyl)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112659614

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide (CID 63590526) is 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide is CN(C(=O)Cc1ccc(C(N)=S)cc1)C1CCCC1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide?
The InChIKey is ZYECMIIWDPJYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(13-4-2-3-5-13)14(18)10-11-6-8-12(9-7-11)15(16)19/h6-9,13H,2-5,10H2,1H3,(H2,16,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide?
2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide has a molecular weight of 276.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 63590526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).