1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea

C15H20N4O3S — CID 86807550

IUPAC1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)NN1CC(=O)NC1=O
InChIInChI=1S/C15H20N4O3S/c1-9-7-10(23-15(2,3)4)5-6-11(9)16-13(21)18-19-8-12(20)17-14(19)22/h5-7H,8H2,1-4H3,(H2,16,18,21)(H,17,20,22)
InChIKeyMURVDBAWFXTTGA-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea

1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea (PubChem CID 86807550) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea
PubChem CID86807550
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)NN1CC(=O)NC1=O
InChIInChI=1S/C15H20N4O3S/c1-9-7-10(23-15(2,3)4)5-6-11(9)16-13(21)18-19-8-12(20)17-14(19)22/h5-7H,8H2,1-4H3,(H2,16,18,21)(H,17,20,22)
InChIKeyMURVDBAWFXTTGA-UHFFFAOYSA-N
XLogP2.47
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea 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-(4-tert-butylsulfanyl-2-methylphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95601510
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976910
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
1-[(4-tert-butylsulfanyl-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078793
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
CID 119765612
(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 95330022
(E)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232180
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754817
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431587
N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
CID 170047939
methyl 3-[(4-tert-butylsulfanyl-2-methylphenyl)carbamoylamino]-3-pyridin-4-ylbutanoate
CID 102562782

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea?
The IUPAC name of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea (CID 86807550) is 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea.
What is the SMILES notation for 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea?
The canonical SMILES for 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea is Cc1cc(SC(C)(C)C)ccc1NC(=O)NN1CC(=O)NC1=O.
What is the InChIKey of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea?
The InChIKey is MURVDBAWFXTTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9-7-10(23-15(2,3)4)5-6-11(9)16-13(21)18-19-8-12(20)17-14(19)22/h5-7H,8H2,1-4H3,(H2,16,18,21)(H,17,20,22).
What are the key properties of 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea?
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea has a molecular weight of 336.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(2,4-dioxoimidazolidin-1-yl)urea is sourced from PubChem (CID 86807550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).