3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide

C17H18N2OS — CID 62253500

IUPAC3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2ccccc2)cc1)C(N)=S
InChIInChI=1S/C17H18N2OS/c1-17(2,15(18)21)16(20)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyKFRWWUVYTLHWIN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.60
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide

3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide (PubChem CID 62253500) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide
PubChem CID62253500
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2ccccc2)cc1)C(N)=S
InChIInChI=1S/C17H18N2OS/c1-17(2,15(18)21)16(20)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyKFRWWUVYTLHWIN-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(methylamino)-N-(4-phenylphenyl)propanamide
CID 62836926
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115
3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
CID 66354566
3-amino-N-(3-iodo-4-methylphenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114257461
N-(4-phenylphenyl)acetamide
CID 19998
3-amino-N-(4-bromo-3-fluorophenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 65435769
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
4-[(4-phenylphenyl)carbamothioyl]benzoic acid
CID 154992313
2,2-dimethyl-N-[2,2,2-trichloro-1-[(4-phenylphenyl)carbamothioylamino]ethyl]propanamide
CID 3961635
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide (CID 62253500) is 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide is CC(C)(C(=O)Nc1ccc(-c2ccccc2)cc1)C(N)=S.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is KFRWWUVYTLHWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-17(2,15(18)21)16(20)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide?
3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 298.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 62253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).