2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide

C14H21N3O2S — CID 107108545

IUPAC2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(C)cccc1C(N)=S
InChIInChI=1S/C14H21N3O2S/c1-9-5-4-6-11(13(15)20)12(9)17-10(2)14(18)16-7-8-19-3/h4-6,10,17H,7-8H2,1-3H3,(H2,15,20)(H,16,18)
InChIKeyOFQPYYHWKQSQBD-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.19
Rot. Bonds7

About 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide

2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 107108545) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID107108545
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(C)cccc1C(N)=S
InChIInChI=1S/C14H21N3O2S/c1-9-5-4-6-11(13(15)20)12(9)17-10(2)14(18)16-7-8-19-3/h4-6,10,17H,7-8H2,1-3H3,(H2,15,20)(H,16,18)
InChIKeyOFQPYYHWKQSQBD-UHFFFAOYSA-N
XLogP1.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
2-(2-carbamothioyl-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107929244
2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041348
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116911
2-[(3-methoxy-2-methylpropyl)amino]-3-methylbenzenecarbothioamide
CID 107108165
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
3-methyl-2-(3-methylbutylamino)benzenecarbothioamide
CID 107107719
2-(2-carbamothioyl-6-methylanilino)-N-propan-2-ylacetamide
CID 107107885
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869
2-(2-carbamothioyl-6-methylanilino)-N-(2-methylpropyl)acetamide
CID 107108536
2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide
CID 107107850
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide (CID 107108545) is 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1c(C)cccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is OFQPYYHWKQSQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-5-4-6-11(13(15)20)12(9)17-10(2)14(18)16-7-8-19-3/h4-6,10,17H,7-8H2,1-3H3,(H2,15,20)(H,16,18).
What are the key properties of 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 295.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 107108545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).