1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea

C19H29ClN4O5S — CID 55695493

IUPAC1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
SMILESCC1CN(S(=O)(=O)CCNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC(C)O1
InChIInChI=1S/C19H29ClN4O5S/c1-14-12-24(13-15(2)29-14)30(26,27)10-5-21-19(25)22-17-11-16(20)3-4-18(17)23-6-8-28-9-7-23/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H2,21,22,25)
InChIKeyAUAMQWFXQBNTBU-UHFFFAOYSA-N
MW460.98 g/mol
LogP1.74
Rot. Bonds6

About 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea

1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea (PubChem CID 55695493) has the molecular formula C19H29ClN4O5S and a molecular weight of 460.98 g/mol. Its IUPAC name is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
PubChem CID55695493
Molecular FormulaC19H29ClN4O5S
Molecular Weight460.98 g/mol
Exact Mass460.15
IUPAC Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
SMILESCC1CN(S(=O)(=O)CCNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC(C)O1
InChIInChI=1S/C19H29ClN4O5S/c1-14-12-24(13-15(2)29-14)30(26,27)10-5-21-19(25)22-17-11-16(20)3-4-18(17)23-6-8-28-9-7-23/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H2,21,22,25)
InChIKeyAUAMQWFXQBNTBU-UHFFFAOYSA-N
XLogP1.74
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]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-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
CID 55770674
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16550994
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55695180
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea?
The IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea (CID 55695493) is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea?
The canonical SMILES for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea is CC1CN(S(=O)(=O)CCNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC(C)O1.
What is the InChIKey of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea?
The InChIKey is AUAMQWFXQBNTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O5S/c1-14-12-24(13-15(2)29-14)30(26,27)10-5-21-19(25)22-17-11-16(20)3-4-18(17)23-6-8-28-9-7-23/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea?
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea has a molecular weight of 460.98 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea is sourced from PubChem (CID 55695493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).