N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide

C17H26N2O4S — CID 110623787

IUPACN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
SMILESCc1cccc(C(CNC(=O)CCS(C)(=O)=O)N2CCOCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-14-4-3-5-15(12-14)16(19-7-9-23-10-8-19)13-18-17(20)6-11-24(2,21)22/h3-5,12,16H,6-11,13H2,1-2H3,(H,18,20)
InChIKeyXKRPNSSNVRMQPG-UHFFFAOYSA-N
MW354.47 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide (PubChem CID 110623787) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
PubChem CID110623787
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
SMILESCc1cccc(C(CNC(=O)CCS(C)(=O)=O)N2CCOCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-14-4-3-5-15(12-14)16(19-7-9-23-10-8-19)13-18-17(20)6-11-24(2,21)22/h3-5,12,16H,6-11,13H2,1-2H3,(H,18,20)
InChIKeyXKRPNSSNVRMQPG-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 95143165
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55659778
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 166237377
3-bromo-N-[2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 55659969
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide (CID 110623787) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide is Cc1cccc(C(CNC(=O)CCS(C)(=O)=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide?
The InChIKey is XKRPNSSNVRMQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14-4-3-5-15(12-14)16(19-7-9-23-10-8-19)13-18-17(20)6-11-24(2,21)22/h3-5,12,16H,6-11,13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide?
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide has a molecular weight of 354.47 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110623787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).