1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea

C18H21N3O3S — CID 8637730

IUPAC1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCOCc1ccc(C(=O)NNC(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-23-12-14-3-7-15(8-4-14)17(22)20-21-18(25)19-11-13-5-9-16(24-2)10-6-13/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyZFOZFNADMNHXIH-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.15
Rot. Bonds6

About 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea

1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea (PubChem CID 8637730) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
PubChem CID8637730
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCOCc1ccc(C(=O)NNC(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-23-12-14-3-7-15(8-4-14)17(22)20-21-18(25)19-11-13-5-9-16(24-2)10-6-13/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyZFOZFNADMNHXIH-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
CID 8654299
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
CID 9086024
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
1-tert-butyl-3-[[4-(methoxymethyl)benzoyl]amino]thiourea
CID 9425628
1-[(2,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9478965
N-[(4-methoxyphenyl)methylcarbamothioyl]-4-propan-2-ylbenzamide
CID 17230602
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7587929
1-[(4-chloro-2-fluorobenzoyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9086011
1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 8942802
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
1-[(4-methoxyphenyl)methyl]-3-(phenylcarbamothioylamino)thiourea
CID 8618425

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea (CID 8637730) is 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea is COCc1ccc(C(=O)NNC(=S)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea?
The InChIKey is ZFOZFNADMNHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-23-12-14-3-7-15(8-4-14)17(22)20-21-18(25)19-11-13-5-9-16(24-2)10-6-13/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,21,25).
What are the key properties of 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea?
1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea has a molecular weight of 359.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 8637730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).