2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide

C14H20N2O2S — CID 62003392

IUPAC2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
SMILESCCCC(C(=O)N(C)c1cccc(OC)c1)C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-4-6-12(13(15)19)14(17)16(2)10-7-5-8-11(9-10)18-3/h5,7-9,12H,4,6H2,1-3H3,(H2,15,19)
InChIKeyFJDHIYZVFJFLRE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.36
Rot. Bonds6

About 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide

2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide (PubChem CID 62003392) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
PubChem CID62003392
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
SMILESCCCC(C(=O)N(C)c1cccc(OC)c1)C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-4-6-12(13(15)19)14(17)16(2)10-7-5-8-11(9-10)18-3/h5,7-9,12H,4,6H2,1-3H3,(H2,15,19)
InChIKeyFJDHIYZVFJFLRE-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide
CID 114292902
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
2-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 116677580

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide?
The IUPAC name of 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide (CID 62003392) is 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide is CCCC(C(=O)N(C)c1cccc(OC)c1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide?
The InChIKey is FJDHIYZVFJFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-6-12(13(15)19)14(17)16(2)10-7-5-8-11(9-10)18-3/h5,7-9,12H,4,6H2,1-3H3,(H2,15,19).
What are the key properties of 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide?
2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide has a molecular weight of 280.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide is sourced from PubChem (CID 62003392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).