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

C16H24N2O5S — CID 53286652

IUPACN-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
SMILESCOc1ccc(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O5S/c1-22-15-7-5-14(6-8-15)18(24(2,20)21)9-3-4-16(19)17-10-12-23-13-11-17/h5-8H,3-4,9-13H2,1-2H3
InChIKeySRQSYRYLDATZKJ-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.10
Rot. Bonds7

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

N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide (PubChem CID 53286652) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
PubChem CID53286652
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
SMILESCOc1ccc(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O5S/c1-22-15-7-5-14(6-8-15)18(24(2,20)21)9-3-4-16(19)17-10-12-23-13-11-17/h5-8H,3-4,9-13H2,1-2H3
InChIKeySRQSYRYLDATZKJ-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-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53287648
N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53288568
N-(3,5-dimethylphenyl)-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]methanesulfonamide
CID 100771035
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
N-[4-[methylsulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]phenyl]acetamide
CID 113145513
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286809
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
CID 100552562
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide (CID 53286652) is N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide is COc1ccc(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The InChIKey is SRQSYRYLDATZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-15-7-5-14(6-8-15)18(24(2,20)21)9-3-4-16(19)17-10-12-23-13-11-17/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
N-(4-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-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide is sourced from PubChem (CID 53286652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).