1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea

C17H20N4O3S — CID 8617883

IUPAC1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NNC(=O)CNc2ccccc2OC)c1
InChIInChI=1S/C17H20N4O3S/c1-23-13-7-5-6-12(10-13)19-17(25)21-20-16(22)11-18-14-8-3-4-9-15(14)24-2/h3-10,18H,11H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyURGJZFRTWWOEIJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.13
Rot. Bonds6

About 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea

1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea (PubChem CID 8617883) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea
PubChem CID8617883
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NNC(=O)CNc2ccccc2OC)c1
InChIInChI=1S/C17H20N4O3S/c1-23-13-7-5-6-12(10-13)19-17(25)21-20-16(22)11-18-14-8-3-4-9-15(14)24-2/h3-10,18H,11H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyURGJZFRTWWOEIJ-UHFFFAOYSA-N
XLogP2.13
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(2,3-dimethylphenyl)-3-[[2-(2-methoxyanilino)acetyl]amino]thiourea
CID 8617902
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 8617470
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
ethyl N-[(3-methoxyphenyl)carbamothioylamino]carbamate
CID 2823947
2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54814109
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea (CID 8617883) is 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NNC(=O)CNc2ccccc2OC)c1.
What is the InChIKey of 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea?
The InChIKey is URGJZFRTWWOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-23-13-7-5-6-12(10-13)19-17(25)21-20-16(22)11-18-14-8-3-4-9-15(14)24-2/h3-10,18H,11H2,1-2H3,(H,20,22)(H2,19,21,25).
What are the key properties of 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea?
1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea has a molecular weight of 360.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 8617883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).