N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide

C15H20N2OS — CID 62388197

IUPACN-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2(C(N)=S)CCCC2)c1
InChIInChI=1S/C15H20N2OS/c1-11-5-4-6-12(9-11)10-13(18)17-15(14(16)19)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H2,16,19)(H,17,18)
InChIKeyZKCVBYWHCKHZRV-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.25
Rot. Bonds4

About N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide

N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide (PubChem CID 62388197) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
PubChem CID62388197
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2(C(N)=S)CCCC2)c1
InChIInChI=1S/C15H20N2OS/c1-11-5-4-6-12(9-11)10-13(18)17-15(14(16)19)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H2,16,19)(H,17,18)
InChIKeyZKCVBYWHCKHZRV-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.25
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-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 62388542
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide
CID 61120142
2-(4-bromophenyl)-N-(1-carbamothioylcycloheptyl)acetamide
CID 61119765
N-(1-carbamothioylcycloheptyl)-2-(4-fluorophenyl)acetamide
CID 61119962
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572
N-(1-carbamothioylcycloheptyl)-2-(2-fluorophenyl)acetamide
CID 61119179
1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 62313942
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76931277
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide (CID 62388197) is N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC2(C(N)=S)CCCC2)c1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide?
The InChIKey is ZKCVBYWHCKHZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-5-4-6-12(9-11)10-13(18)17-15(14(16)19)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide?
N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 62388197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).