2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide

C16H22N2OS — CID 63591386

IUPAC2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)NCCC2CCCC2)cc1
InChIInChI=1S/C16H22N2OS/c17-16(20)14-7-5-13(6-8-14)11-15(19)18-10-9-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2,(H2,17,20)(H,18,19)
InChIKeyMKFNMTZRPVLCRJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide

2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide (PubChem CID 63591386) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
PubChem CID63591386
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)NCCC2CCCC2)cc1
InChIInChI=1S/C16H22N2OS/c17-16(20)14-7-5-13(6-8-14)11-15(19)18-10-9-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2,(H2,17,20)(H,18,19)
InChIKeyMKFNMTZRPVLCRJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.56
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

2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
2-(4-carbamothioylphenyl)-N-(4,4,4-trifluorobutyl)acetamide
CID 115519806
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
CID 106237086
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
CID 63591247
2-(4-carbamothioylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63612862
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide (CID 63591386) is 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide is NC(=S)c1ccc(CC(=O)NCCC2CCCC2)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide?
The InChIKey is MKFNMTZRPVLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-16(20)14-7-5-13(6-8-14)11-15(19)18-10-9-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide?
2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide has a molecular weight of 290.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide is sourced from PubChem (CID 63591386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).