3-(3-methylphenyl)-1-phenyl-1-sulfanylurea

C14H14N2OS — CID 57164193

IUPAC3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
SMILESCc1cccc(NC(=O)N(S)c2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c1-11-6-5-7-12(10-11)15-14(17)16(18)13-8-3-2-4-9-13/h2-10,18H,1H3,(H,15,17)
InChIKeyAIKIENSULBITQB-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.88
Rot. Bonds2

About 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea

3-(3-methylphenyl)-1-phenyl-1-sulfanylurea (PubChem CID 57164193) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
PubChem CID57164193
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
SMILESCc1cccc(NC(=O)N(S)c2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c1-11-6-5-7-12(10-11)15-14(17)16(18)13-8-3-2-4-9-13/h2-10,18H,1H3,(H,15,17)
InChIKeyAIKIENSULBITQB-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607
N-(3-methylphenyl)acetamide
CID 10843
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
CID 18575230
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57262089
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(3-methylphenyl)urea
CID 43596820
(2S,3S)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41291682
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea?
The IUPAC name of 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea (CID 57164193) is 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea.
What is the SMILES notation for 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea?
The canonical SMILES for 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea is Cc1cccc(NC(=O)N(S)c2ccccc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea?
The InChIKey is AIKIENSULBITQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-6-5-7-12(10-11)15-14(17)16(18)13-8-3-2-4-9-13/h2-10,18H,1H3,(H,15,17).
What are the key properties of 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea?
3-(3-methylphenyl)-1-phenyl-1-sulfanylurea has a molecular weight of 258.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-phenyl-1-sulfanylurea is sourced from PubChem (CID 57164193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).