1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

C14H21N3O3S — CID 9086949

IUPAC1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@@H](C)NC(=S)NNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H21N3O3S/c1-9-5-6-11(7-12(9)20-4)13(18)16-17-14(21)15-10(2)8-19-3/h5-7,10H,8H2,1-4H3,(H,16,18)(H2,15,17,21)/t10-/m1/s1
InChIKeyKCVYQTPKLOVKNS-SNVBAGLBSA-N
MW311.41 g/mol
LogP1.15
Rot. Bonds5

About 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (PubChem CID 9086949) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
PubChem CID9086949
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@@H](C)NC(=S)NNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H21N3O3S/c1-9-5-6-11(7-12(9)20-4)13(18)16-17-14(21)15-10(2)8-19-3/h5-7,10H,8H2,1-4H3,(H,16,18)(H2,15,17,21)/t10-/m1/s1
InChIKeyKCVYQTPKLOVKNS-SNVBAGLBSA-N
XLogP1.15
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.15
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'}

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Related Compounds

1-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477836
1-[(2R)-1-methoxypropan-2-yl]-3-[(2,4,5-trimethoxybenzoyl)amino]thiourea
CID 9478668
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
1-[(6-chloropyridine-3-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478408
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
4-(difluoromethoxy)-3-methoxy-N-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 9477571
1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
CID 9478376
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
1-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 8637676
1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477966
N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114151199
N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 94346399

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (CID 9086949) is 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is COC[C@@H](C)NC(=S)NNC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The InChIKey is KCVYQTPKLOVKNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-5-6-11(7-12(9)20-4)13(18)16-17-14(21)15-10(2)8-19-3/h5-7,10H,8H2,1-4H3,(H,16,18)(H2,15,17,21)/t10-/m1/s1.
What are the key properties of 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea has a molecular weight of 311.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9086949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).