N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide

C19H21N3O2S — CID 4923946

IUPACN-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-13(2)17(23)20-19(25)22-21-18(24)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,21,24)(H2,20,22,23,25)
InChIKeyJABRCSMHVXJCNE-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.50
Rot. Bonds4

About N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide

N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide (PubChem CID 4923946) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
PubChem CID4923946
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-13(2)17(23)20-19(25)22-21-18(24)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,21,24)(H2,20,22,23,25)
InChIKeyJABRCSMHVXJCNE-UHFFFAOYSA-N
XLogP2.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-iodobenzamide
CID 3523057
[(2,2-diphenylacetyl)amino]thiourea
CID 12636581
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478452
methyl 2-[4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]phenyl]acetate
CID 3878777
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
3-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide
CID 4957276
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
CID 3770806
(E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134777
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
5-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051307
1-[(2,2-diphenylacetyl)amino]-3-(4-ethoxyphenyl)thiourea
CID 40631596

Frequently Asked Questions

What is the IUPAC name of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide (CID 4923946) is N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide is CC(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide?
The InChIKey is JABRCSMHVXJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13(2)17(23)20-19(25)22-21-18(24)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,21,24)(H2,20,22,23,25).
What are the key properties of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide?
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 4923946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).