1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea

C19H23N3O2S — CID 9478452

IUPAC1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@H](C)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-14(13-24-2)20-19(25)22-21-18(23)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,23)(H2,20,22,25)/t14-/m0/s1
InChIKeySCINLOZSZDYWMZ-AWEZNQCLSA-N
MW357.48 g/mol
LogP2.35
Rot. Bonds6

About 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea

1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea (PubChem CID 9478452) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
PubChem CID9478452
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@H](C)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-14(13-24-2)20-19(25)22-21-18(23)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,23)(H2,20,22,25)/t14-/m0/s1
InChIKeySCINLOZSZDYWMZ-AWEZNQCLSA-N
XLogP2.35
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.35
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

1-[(2S)-1-methoxypropan-2-yl]-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea
CID 9478780
1-[(2-benzoylbenzoyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9086909
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
CID 4923946
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
CID 9478376
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9367532
1-[3-(benzenesulfonamido)propanoylamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477567
1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2207675
1-[[2-(4-bromophenyl)acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478675
N-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9478105
(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 94816352
1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086988

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea (CID 9478452) is 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea is COC[C@H](C)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The InChIKey is SCINLOZSZDYWMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(13-24-2)20-19(25)22-21-18(23)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,23)(H2,20,22,25)/t14-/m0/s1.
What are the key properties of 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea?
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea has a molecular weight of 357.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9478452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).