N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide

C16H24N2O5S — CID 53288568

IUPACN-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
SMILESCOc1ccccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O5S/c1-22-15-7-4-3-6-14(15)18(24(2,20)21)9-5-8-16(19)17-10-12-23-13-11-17/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyLKRAGSDLMCEFMB-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.10
Rot. Bonds7

About N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide

N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide (PubChem CID 53288568) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
PubChem CID53288568
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
SMILESCOc1ccccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O5S/c1-22-15-7-4-3-6-14(15)18(24(2,20)21)9-5-8-16(19)17-10-12-23-13-11-17/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyLKRAGSDLMCEFMB-UHFFFAOYSA-N
XLogP1.10
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53286652
N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide
CID 53286864
N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155333
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324
N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53287648
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
N-(5-chloro-2-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 1100137
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286809
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide (CID 53288568) is N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide is COc1ccccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The InChIKey is LKRAGSDLMCEFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-15-7-4-3-6-14(15)18(24(2,20)21)9-5-8-16(19)17-10-12-23-13-11-17/h3-4,6-7H,5,8-13H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide is sourced from PubChem (CID 53288568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).