4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide

C25H28N2O4S — CID 24751692

IUPAC4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2cccc3ccccc23)[C@@H](C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-10-12-21(13-11-18)32(29,30)26-24(19(2)25(28)27-14-16-31-17-15-27)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,19,24,26H,14-17H2,1-2H3/t19-,24+/m1/s1
InChIKeyLABBRVGSPGXHMI-DVECYGJZSA-N
MW452.58 g/mol
LogP3.66
Rot. Bonds6

About 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide

4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide (PubChem CID 24751692) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide
PubChem CID24751692
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2cccc3ccccc23)[C@@H](C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-10-12-21(13-11-18)32(29,30)26-24(19(2)25(28)27-14-16-31-17-15-27)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,19,24,26H,14-17H2,1-2H3/t19-,24+/m1/s1
InChIKeyLABBRVGSPGXHMI-DVECYGJZSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2S,3S)-3-methyl-1-[16-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600522
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
4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
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
methyl 3-(2-hydroxyphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 101187548
N-[1-(2-methylphenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 86984239
(2S)-2-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
CID 159640251
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
CID 112771331
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide (CID 24751692) is 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2cccc3ccccc23)[C@@H](C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide?
The InChIKey is LABBRVGSPGXHMI-DVECYGJZSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-10-12-21(13-11-18)32(29,30)26-24(19(2)25(28)27-14-16-31-17-15-27)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,19,24,26H,14-17H2,1-2H3/t19-,24+/m1/s1.
What are the key properties of 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide?
4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 24751692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).