1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea

C18H29N3O4S — CID 110309158

IUPAC1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
SMILESCOCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C18H29N3O4S/c1-15-5-3-4-13-21(15)26(23,24)17-8-6-16(7-9-17)10-11-19-18(22)20-12-14-25-2/h6-9,15H,3-5,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyDULCNCPDBZXMMP-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.74
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea

1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea (PubChem CID 110309158) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
PubChem CID110309158
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
SMILESCOCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C18H29N3O4S/c1-15-5-3-4-13-21(15)26(23,24)17-8-6-16(7-9-17)10-11-19-18(22)20-12-14-25-2/h6-9,15H,3-5,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyDULCNCPDBZXMMP-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea (CID 110309158) is 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea is COCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The InChIKey is DULCNCPDBZXMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-15-5-3-4-13-21(15)26(23,24)17-8-6-16(7-9-17)10-11-19-18(22)20-12-14-25-2/h6-9,15H,3-5,10-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea has a molecular weight of 383.51 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea is sourced from PubChem (CID 110309158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).