1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide

C19H25N3O3S — CID 112506422

IUPAC1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-16-4-6-17(7-5-16)15-26(23,24)21-14-19(18-3-2-8-20-13-18)22-9-11-25-12-10-22/h2-8,13,19,21H,9-12,14-15H2,1H3
InChIKeyUMWUGYGZDMNXPQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.88
Rot. Bonds7

About 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide

1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide (PubChem CID 112506422) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
PubChem CID112506422
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-16-4-6-17(7-5-16)15-26(23,24)21-14-19(18-3-2-8-20-13-18)22-9-11-25-12-10-22/h2-8,13,19,21H,9-12,14-15H2,1H3
InChIKeyUMWUGYGZDMNXPQ-UHFFFAOYSA-N
XLogP1.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506424
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112506427
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide (CID 112506422) is 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
The InChIKey is UMWUGYGZDMNXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-16-4-6-17(7-5-16)15-26(23,24)21-14-19(18-3-2-8-20-13-18)22-9-11-25-12-10-22/h2-8,13,19,21H,9-12,14-15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 112506422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).