2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide

C15H22N2OS — CID 65487463

IUPAC2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
SMILESCC(C)C(C(=O)N(C)CCc1ccccc1)C(N)=S
InChIInChI=1S/C15H22N2OS/c1-11(2)13(14(16)19)15(18)17(3)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H2,16,19)
InChIKeyIIWIBPDAUYWSEW-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.25
Rot. Bonds6

About 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide

2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide (PubChem CID 65487463) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
PubChem CID65487463
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
SMILESCC(C)C(C(=O)N(C)CCc1ccccc1)C(N)=S
InChIInChI=1S/C15H22N2OS/c1-11(2)13(14(16)19)15(18)17(3)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H2,16,19)
InChIKeyIIWIBPDAUYWSEW-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 80591313
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide (CID 65487463) is 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide is CC(C)C(C(=O)N(C)CCc1ccccc1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide?
The InChIKey is IIWIBPDAUYWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)13(14(16)19)15(18)17(3)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide?
2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide has a molecular weight of 278.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 65487463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).