1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea

C15H14ClN3O2S — CID 2796729

IUPAC1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-21-13-9-5-4-8-12(13)17-15(22)19-18-14(20)10-6-2-3-7-11(10)16/h2-9H,1H3,(H,18,20)(H2,17,19,22)
InChIKeyNCZXJUROYHDEPW-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.98
Rot. Bonds3

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

1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea (PubChem CID 2796729) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
PubChem CID2796729
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-21-13-9-5-4-8-12(13)17-15(22)19-18-14(20)10-6-2-3-7-11(10)16/h2-9H,1H3,(H,18,20)(H2,17,19,22)
InChIKeyNCZXJUROYHDEPW-UHFFFAOYSA-N
XLogP2.98
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-chlorobenzoyl)amino]-3-(5-methoxy-2-methylphenyl)thiourea
CID 139033809
1-[(2-chlorobenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 4873618
1-(2,3-dimethylphenyl)-3-[(2-methoxybenzoyl)amino]thiourea
CID 7923403
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
CID 18871810
1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 13329340
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045953

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea (CID 2796729) is 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is NCZXJUROYHDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-21-13-9-5-4-8-12(13)17-15(22)19-18-14(20)10-6-2-3-7-11(10)16/h2-9H,1H3,(H,18,20)(H2,17,19,22).
What are the key properties of 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 335.82 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 2796729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).