2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide

C18H19N3O5S — CID 4980684

IUPAC2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
SMILESCOc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H19N3O5S/c1-24-12-7-9-13(10-8-12)26-11-16(22)20-21-18(27)19-17(23)14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,22)(H2,19,21,23,27)
InChIKeyANTCXPHPBPJDFJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.42
Rot. Bonds6

About 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide

2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide (PubChem CID 4980684) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
PubChem CID4980684
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
SMILESCOc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H19N3O5S/c1-24-12-7-9-13(10-8-12)26-11-16(22)20-21-18(27)19-17(23)14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,22)(H2,19,21,23,27)
InChIKeyANTCXPHPBPJDFJ-UHFFFAOYSA-N
XLogP1.42
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-iodo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3374060
2-(2-methoxyethoxy)-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17356180
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980812
5-bromo-2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17094608
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045981
N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046005
2-propan-2-yloxy-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17045941
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980742
ethyl 4-[2-[2-[(2-ethoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932870
N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide
CID 4955656
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123164

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide (CID 4980684) is 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide is COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide?
The InChIKey is ANTCXPHPBPJDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-24-12-7-9-13(10-8-12)26-11-16(22)20-21-18(27)19-17(23)14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,22)(H2,19,21,23,27).
What are the key properties of 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide?
2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide has a molecular weight of 389.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide is sourced from PubChem (CID 4980684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).