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

C20H29N3O2S — CID 60611862

IUPAC1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C20H29N3O2S/c24-19(23-10-12-26-13-11-23)14-16-6-8-18(9-7-16)22-20(25)21-15-17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H2,21,22,25)
InChIKeyVATODNPQYIICCV-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.51
Rot. Bonds5

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

1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea (PubChem CID 60611862) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
PubChem CID60611862
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C20H29N3O2S/c24-19(23-10-12-26-13-11-23)14-16-6-8-18(9-7-16)22-20(25)21-15-17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H2,21,22,25)
InChIKeyVATODNPQYIICCV-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 56518670
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone
CID 125472611

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea (CID 60611862) is 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea is O=C(NCC1CCCCC1)Nc1ccc(CC(=O)N2CCSCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
The InChIKey is VATODNPQYIICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c24-19(23-10-12-26-13-11-23)14-16-6-8-18(9-7-16)22-20(25)21-15-17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H2,21,22,25).
What are the key properties of 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea?
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea has a molecular weight of 375.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea is sourced from PubChem (CID 60611862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).