1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea

C15H22ClN3O4S — CID 118782940

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
SMILESCc1cc(C)c(NC(=O)NCC2CN(S(C)(=O)=O)CCO2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O4S/c1-10-6-11(2)14(13(16)7-10)18-15(20)17-8-12-9-19(4-5-23-12)24(3,21)22/h6-7,12H,4-5,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyWDMJVJFDWRLIGV-UHFFFAOYSA-N
MW375.88 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea (PubChem CID 118782940) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
PubChem CID118782940
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
SMILESCc1cc(C)c(NC(=O)NCC2CN(S(C)(=O)=O)CCO2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O4S/c1-10-6-11(2)14(13(16)7-10)18-15(20)17-8-12-9-19(4-5-23-12)24(3,21)22/h6-7,12H,4-5,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyWDMJVJFDWRLIGV-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97285718
1-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 125166321
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
1-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 43384857

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea (CID 118782940) is 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea is Cc1cc(C)c(NC(=O)NCC2CN(S(C)(=O)=O)CCO2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
The InChIKey is WDMJVJFDWRLIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-10-6-11(2)14(13(16)7-10)18-15(20)17-8-12-9-19(4-5-23-12)24(3,21)22/h6-7,12H,4-5,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea has a molecular weight of 375.88 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 118782940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).