1-(anilinosulfanylmethyl)-3-phenylurea

C14H15N3OS — CID 87475456

IUPAC1-(anilinosulfanylmethyl)-3-phenylurea
SMILESO=C(NCSNc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H15N3OS/c18-14(16-12-7-3-1-4-8-12)15-11-19-17-13-9-5-2-6-10-13/h1-10,17H,11H2,(H2,15,16,18)
InChIKeyDRBHNMVNXLXAIZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.53
Rot. Bonds5

About 1-(anilinosulfanylmethyl)-3-phenylurea

1-(anilinosulfanylmethyl)-3-phenylurea (PubChem CID 87475456) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(anilinosulfanylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(anilinosulfanylmethyl)-3-phenylurea
PubChem CID87475456
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(anilinosulfanylmethyl)-3-phenylurea
SMILESO=C(NCSNc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H15N3OS/c18-14(16-12-7-3-1-4-8-12)15-11-19-17-13-9-5-2-6-10-13/h1-10,17H,11H2,(H2,15,16,18)
InChIKeyDRBHNMVNXLXAIZ-UHFFFAOYSA-N
XLogP3.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(anilinosulfanylmethyl)-3-phenylurea 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

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1-(2-chloropropyl)-3-phenylurea
CID 70181020
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-methyl-3-phenylurea;propane
CID 142949663
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167
1-dodecyl-3-phenylurea
CID 3697946
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea
CID 6929498

Frequently Asked Questions

What is the IUPAC name of 1-(anilinosulfanylmethyl)-3-phenylurea?
The IUPAC name of 1-(anilinosulfanylmethyl)-3-phenylurea (CID 87475456) is 1-(anilinosulfanylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(anilinosulfanylmethyl)-3-phenylurea?
The canonical SMILES for 1-(anilinosulfanylmethyl)-3-phenylurea is O=C(NCSNc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-(anilinosulfanylmethyl)-3-phenylurea?
The InChIKey is DRBHNMVNXLXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(16-12-7-3-1-4-8-12)15-11-19-17-13-9-5-2-6-10-13/h1-10,17H,11H2,(H2,15,16,18).
What are the key properties of 1-(anilinosulfanylmethyl)-3-phenylurea?
1-(anilinosulfanylmethyl)-3-phenylurea has a molecular weight of 273.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anilinosulfanylmethyl)-3-phenylurea is sourced from PubChem (CID 87475456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).