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

C20H24N4O2S — CID 60612014

IUPAC1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccncc1
InChIInChI=1S/C20H24N4O2S/c1-15(17-6-8-21-9-7-17)22-20(26)23-18-4-2-16(3-5-18)14-19(25)24-10-12-27-13-11-24/h2-9,15H,10-14H2,1H3,(H2,22,23,26)
InChIKeyFFRLJLRSVILDDI-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.08
Rot. Bonds5

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

1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 60612014) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID60612014
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccncc1
InChIInChI=1S/C20H24N4O2S/c1-15(17-6-8-21-9-7-17)22-20(26)23-18-4-2-16(3-5-18)14-19(25)24-10-12-27-13-11-24/h2-9,15H,10-14H2,1H3,(H2,22,23,26)
InChIKeyFFRLJLRSVILDDI-UHFFFAOYSA-N
XLogP3.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
1-[(2S)-3-methylbutan-2-yl]-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 94655505
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610
1-[1-(4-chlorophenyl)ethyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606653
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 56518670
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60545573
(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
CID 52816902

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea (CID 60612014) is 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccncc1.
What is the InChIKey of 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is FFRLJLRSVILDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15(17-6-8-21-9-7-17)22-20(26)23-18-4-2-16(3-5-18)14-19(25)24-10-12-27-13-11-24/h2-9,15H,10-14H2,1H3,(H2,22,23,26).
What are the key properties of 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 384.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 60612014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).