1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea

C19H23N3O4S — CID 2206292

IUPAC1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
SMILESCCOc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-26-15-8-5-13(6-9-15)11-18(23)21-22-19(27)20-14-7-10-16(24-2)17(12-14)25-3/h5-10,12H,4,11H2,1-3H3,(H,21,23)(H2,20,22,27)
InChIKeyNXWPTXIEHDNRQT-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.66
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea

1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea (PubChem CID 2206292) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
PubChem CID2206292
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
SMILESCCOc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-26-15-8-5-13(6-9-15)11-18(23)21-22-19(27)20-14-7-10-16(24-2)17(12-14)25-3/h5-10,12H,4,11H2,1-3H3,(H,21,23)(H2,20,22,27)
InChIKeyNXWPTXIEHDNRQT-UHFFFAOYSA-N
XLogP2.66
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.66
H-Bond Donors ≤ 53
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-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
CID 9298340
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
CID 8683261
N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 112999332
1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
CID 3659337
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea (CID 2206292) is 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea is CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea?
The InChIKey is NXWPTXIEHDNRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-26-15-8-5-13(6-9-15)11-18(23)21-22-19(27)20-14-7-10-16(24-2)17(12-14)25-3/h5-10,12H,4,11H2,1-3H3,(H,21,23)(H2,20,22,27).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea?
1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea has a molecular weight of 389.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea is sourced from PubChem (CID 2206292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).