2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide

C24H23N3O3S — CID 26164254

IUPAC2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide
SMILESCc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-17-9-5-6-12-19(17)15-22(28)25-24(31)27-26-23(29)16-30-21-14-8-7-13-20(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,26,29)(H2,25,27,28,31)
InChIKeyAPIRSEQSSOCUDN-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.31
Rot. Bonds6

About 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide

2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide (PubChem CID 26164254) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide
PubChem CID26164254
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide
SMILESCc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-17-9-5-6-12-19(17)15-22(28)25-24(31)27-26-23(29)16-30-21-14-8-7-13-20(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,26,29)(H2,25,27,28,31)
InChIKeyAPIRSEQSSOCUDN-UHFFFAOYSA-N
XLogP3.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.31
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

2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]octanamide
CID 4959020
2-bromo-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3509710
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
2-pentoxy-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4947291
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
3-(furan-2-yl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3519372
3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3514149
3-(3,4-dimethoxyphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3622606
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide (CID 26164254) is 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide is Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide?
The InChIKey is APIRSEQSSOCUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-17-9-5-6-12-19(17)15-22(28)25-24(31)27-26-23(29)16-30-21-14-8-7-13-20(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,26,29)(H2,25,27,28,31).
What are the key properties of 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide?
2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide is sourced from PubChem (CID 26164254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).