N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide

C18H28N2O4S — CID 110285627

IUPACN-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)12-17(18(21)20-8-10-24-11-9-20)19-25(22,23)13-16-6-4-15(3)5-7-16/h4-7,14,17,19H,8-13H2,1-3H3/t17-/m0/s1
InChIKeyHGFFLBDDNDEXAN-KRWDZBQOSA-N
MW368.50 g/mol
LogP1.69
Rot. Bonds7

About N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide

N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110285627) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110285627
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)12-17(18(21)20-8-10-24-11-9-20)19-25(22,23)13-16-6-4-15(3)5-7-16/h4-7,14,17,19H,8-13H2,1-3H3/t17-/m0/s1
InChIKeyHGFFLBDDNDEXAN-KRWDZBQOSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
CID 110351444
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
2-(2-methoxyethoxy)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)ethanesulfonamide
CID 110625586
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631
4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 27241664
N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methylbenzenesulfonamide
CID 134917744
4-methyl-N-[1-[10-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110901
4-methyl-N-[1-[13-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110902
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide (CID 110285627) is N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is HGFFLBDDNDEXAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)12-17(18(21)20-8-10-24-11-9-20)19-25(22,23)13-16-6-4-15(3)5-7-16/h4-7,14,17,19H,8-13H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide?
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110285627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).