1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea

C16H18N2OS — CID 108886268

IUPAC1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C16H18N2OS/c1-11(2)12-7-9-13(10-8-12)17-16(19)18-14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H2,17,18,19)
InChIKeyRTYWXXKWQHVEAB-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.74
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea

1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886268) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea
PubChem CID108886268
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C16H18N2OS/c1-11(2)12-7-9-13(10-8-12)17-16(19)18-14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H2,17,18,19)
InChIKeyRTYWXXKWQHVEAB-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886350
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea (CID 108886268) is 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2ccccc2S)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea?
The InChIKey is RTYWXXKWQHVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(2)12-7-9-13(10-8-12)17-16(19)18-14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea?
1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea has a molecular weight of 286.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).