2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide

C15H22N2O2S — CID 62002449

IUPAC2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)c1ccccc1OC)C(N)=S
InChIInChI=1S/C15H22N2O2S/c1-5-15(6-2,13(16)20)14(18)17(3)11-9-7-8-10-12(11)19-4/h7-10H,5-6H2,1-4H3,(H2,16,20)
InChIKeyJAGARBLAZZLBTN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.75
Rot. Bonds6

About 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide

2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide (PubChem CID 62002449) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide
PubChem CID62002449
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)c1ccccc1OC)C(N)=S
InChIInChI=1S/C15H22N2O2S/c1-5-15(6-2,13(16)20)14(18)17(3)11-9-7-8-10-12(11)19-4/h7-10H,5-6H2,1-4H3,(H2,16,20)
InChIKeyJAGARBLAZZLBTN-UHFFFAOYSA-N
XLogP2.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.75
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

3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
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3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 79815181
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
1-(dimethylamino)-1-(2-methoxyphenyl)urea
CID 67588036
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 62483741
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 76944433
(2S)-2-amino-N-(2-methoxyphenyl)-N-methylhexanamide
CID 103831499
2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide
CID 107471998
N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931832

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide?
The IUPAC name of 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide (CID 62002449) is 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide is CCC(CC)(C(=O)N(C)c1ccccc1OC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide?
The InChIKey is JAGARBLAZZLBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-15(6-2,13(16)20)14(18)17(3)11-9-7-8-10-12(11)19-4/h7-10H,5-6H2,1-4H3,(H2,16,20).
What are the key properties of 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide?
2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide has a molecular weight of 294.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 62002449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).