2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide

C15H23N3OS — CID 62302942

IUPAC2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cc(C)ccc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-5-18(9-14(19)17-10(2)3)13-8-11(4)6-7-12(13)15(16)20/h6-8,10H,5,9H2,1-4H3,(H2,16,20)(H,17,19)
InChIKeyGXTMCCPDSDUEQO-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.98
Rot. Bonds6

About 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide

2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide (PubChem CID 62302942) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide
PubChem CID62302942
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cc(C)ccc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-5-18(9-14(19)17-10(2)3)13-8-11(4)6-7-12(13)15(16)20/h6-8,10H,5,9H2,1-4H3,(H2,16,20)(H,17,19)
InChIKeyGXTMCCPDSDUEQO-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioyl-2-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 63087465
2-(2-carbamothioyl-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 79512883
2-(2-carbamothioyl-5-methoxy-N-methylanilino)-N-propan-2-ylacetamide
CID 81305666
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
CID 62302429
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
CID 62302115
2-(4-carbamothioyl-3-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 115368148
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
2-(2-carbamothioyl-N,6-dimethylanilino)-N-propan-2-ylacetamide
CID 107108094
2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
2-(2-carbamothioyl-5-chloro-N-ethylanilino)-N,N-dimethylacetamide
CID 55181567

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide (CID 62302942) is 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cc(C)ccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide?
The InChIKey is GXTMCCPDSDUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-18(9-14(19)17-10(2)3)13-8-11(4)6-7-12(13)15(16)20/h6-8,10H,5,9H2,1-4H3,(H2,16,20)(H,17,19).
What are the key properties of 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide?
2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide has a molecular weight of 293.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-N-ethyl-5-methylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 62302942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).