1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea

C20H29N3O2S — CID 60612038

IUPAC1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESCC1CCC(NC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1
InChIInChI=1S/C20H29N3O2S/c1-15-2-6-17(7-3-15)21-20(25)22-18-8-4-16(5-9-18)14-19(24)23-10-12-26-13-11-23/h4-5,8-9,15,17H,2-3,6-7,10-14H2,1H3,(H2,21,22,25)
InChIKeyLAJVWKKYECJVEG-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea

1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea (PubChem CID 60612038) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
PubChem CID60612038
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESCC1CCC(NC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1
InChIInChI=1S/C20H29N3O2S/c1-15-2-6-17(7-3-15)21-20(25)22-18-8-4-16(5-9-18)14-19(24)23-10-12-26-13-11-23/h4-5,8-9,15,17H,2-3,6-7,10-14H2,1H3,(H2,21,22,25)
InChIKeyLAJVWKKYECJVEG-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 56518670
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120790893
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
CID 119761357
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-phenylpropanamide
CID 120590930
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896
(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
CID 52816902
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea (CID 60612038) is 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea is CC1CCC(NC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
The InChIKey is LAJVWKKYECJVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-15-2-6-17(7-3-15)21-20(25)22-18-8-4-16(5-9-18)14-19(24)23-10-12-26-13-11-23/h4-5,8-9,15,17H,2-3,6-7,10-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea has a molecular weight of 375.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea is sourced from PubChem (CID 60612038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).