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

C18H21N3O3S — CID 9478376

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
SMILESCOC[C@H](C)NC(=S)NNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21N3O3S/c1-13(12-23-2)19-18(25)21-20-17(22)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-/m0/s1
InChIKeyPTWQWHVSQXTICC-ZDUSSCGKSA-N
MW359.45 g/mol
LogP2.62
Rot. Bonds6

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

1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea (PubChem CID 9478376) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
PubChem CID9478376
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
SMILESCOC[C@H](C)NC(=S)NNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21N3O3S/c1-13(12-23-2)19-18(25)21-20-17(22)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-/m0/s1
InChIKeyPTWQWHVSQXTICC-ZDUSSCGKSA-N
XLogP2.62
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-benzoylbenzoyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9086909
1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086949
1-[(2S)-1-methoxypropan-2-yl]-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea
CID 9478780
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
CID 17473181
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478452
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
1-[(6-chloropyridine-3-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478408
1-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477836
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
1-[(2R)-1-methoxypropan-2-yl]-3-[(2,4,5-trimethoxybenzoyl)amino]thiourea
CID 9478668
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea (CID 9478376) is 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea is COC[C@H](C)NC(=S)NNC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea?
The InChIKey is PTWQWHVSQXTICC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13(12-23-2)19-18(25)21-20-17(22)14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea?
1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea has a molecular weight of 359.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea is sourced from PubChem (CID 9478376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).