N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide

C17H27N3O4S — CID 113138283

IUPACN-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O4S/c1-15-5-3-4-6-16(15)18-17(21)7-8-20(25(2,22)23)10-9-19-11-13-24-14-12-19/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeyPRGWVKARIXJWGV-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.92
Rot. Bonds8

About N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide

N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (PubChem CID 113138283) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
PubChem CID113138283
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O4S/c1-15-5-3-4-6-16(15)18-17(21)7-8-20(25(2,22)23)10-9-19-11-13-24-14-12-19/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeyPRGWVKARIXJWGV-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113138299
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138237
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (CID 113138283) is N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is Cc1ccccc1NC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The InChIKey is PRGWVKARIXJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-15-5-3-4-6-16(15)18-17(21)7-8-20(25(2,22)23)10-9-19-11-13-24-14-12-19/h3-6H,7-14H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide has a molecular weight of 369.49 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 113138283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).