1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea

C16H24N2OS — CID 112840313

IUPAC1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-16(2,3)18-15(19)17-12-8-10-14(11-9-12)20-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyNIVOJCIYORKHQW-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.64
Rot. Bonds3

About 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea

1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea (PubChem CID 112840313) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
PubChem CID112840313
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-16(2,3)18-15(19)17-12-8-10-14(11-9-12)20-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyNIVOJCIYORKHQW-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 37400587
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea (CID 112840313) is 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea is CC(C)(C)NC(=O)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea?
The InChIKey is NIVOJCIYORKHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2,3)18-15(19)17-12-8-10-14(11-9-12)20-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea?
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea has a molecular weight of 292.45 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea is sourced from PubChem (CID 112840313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).