2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide

C18H21N3O2S — CID 87958494

IUPAC2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
SMILESCC(C)(N)C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H21N3O2S/c1-18(2,19)16(22)21-17(24)20-14-9-6-10-15(11-14)23-12-13-7-4-3-5-8-13/h3-11H,12,19H2,1-2H3,(H2,20,21,22,24)
InChIKeyUYVDZBCAMFUANK-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.82
Rot. Bonds5

About 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide

2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide (PubChem CID 87958494) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
PubChem CID87958494
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
SMILESCC(C)(N)C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H21N3O2S/c1-18(2,19)16(22)21-17(24)20-14-9-6-10-15(11-14)23-12-13-7-4-3-5-8-13/h3-11H,12,19H2,1-2H3,(H2,20,21,22,24)
InChIKeyUYVDZBCAMFUANK-UHFFFAOYSA-N
XLogP2.82
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17086198
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086217
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
CID 25173086
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
2,2,2-trifluoro-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 174481521
2,5-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
CID 142677309
3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779899
2,2-dimethyl-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
CID 17079897
5-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 21041806

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide (CID 87958494) is 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide is CC(C)(N)C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide?
The InChIKey is UYVDZBCAMFUANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(2,19)16(22)21-17(24)20-14-9-6-10-15(11-14)23-12-13-7-4-3-5-8-13/h3-11H,12,19H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide?
2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 87958494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).