2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide

C16H22N2OS — CID 107413395

IUPAC2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C16H22N2OS/c1-11-2-3-13(8-11)10-18-15(19)9-12-4-6-14(7-5-12)16(17)20/h4-7,11,13H,2-3,8-10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyRDLKRAHXYMIWAI-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide

2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide (PubChem CID 107413395) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
PubChem CID107413395
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cc2ccc(C(N)=S)cc2)C1
InChIInChI=1S/C16H22N2OS/c1-11-2-3-13(8-11)10-18-15(19)9-12-4-6-14(7-5-12)16(17)20/h4-7,11,13H,2-3,8-10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyRDLKRAHXYMIWAI-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.42
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-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63612862
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414832
2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
CID 63591386
(3-methylcyclopentyl)methylurea
CID 20542807
2-(5-amino-2-pyridinyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413069
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide (CID 107413395) is 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide is CC1CCC(CNC(=O)Cc2ccc(C(N)=S)cc2)C1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide?
The InChIKey is RDLKRAHXYMIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-2-3-13(8-11)10-18-15(19)9-12-4-6-14(7-5-12)16(17)20/h4-7,11,13H,2-3,8-10H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide?
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide has a molecular weight of 290.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 107413395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).