N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide

C22H28N2O5S — CID 42971246

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CC(C)OC(C)C2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-16-6-5-7-21(12-16)30(26,27)24(19-8-10-20(28-4)11-9-19)15-22(25)23-13-17(2)29-18(3)14-23/h5-12,17-18H,13-15H2,1-4H3
InChIKeyFTIBHJUUYHCFFY-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 42971246) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide
PubChem CID42971246
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CC(C)OC(C)C2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-16-6-5-7-21(12-16)30(26,27)24(19-8-10-20(28-4)11-9-19)15-22(25)23-13-17(2)29-18(3)14-23/h5-12,17-18H,13-15H2,1-4H3
InChIKeyFTIBHJUUYHCFFY-UHFFFAOYSA-N
XLogP2.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25220062
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methyl-N-phenylbenzenesulfonamide
CID 24609017
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
CID 7082114
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 51671961
N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2896526
N-(2-ethoxyphenyl)-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)acetamide
CID 2087980
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892477
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 78881152

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide (CID 42971246) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide is COc1ccc(N(CC(=O)N2CC(C)OC(C)C2)S(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is FTIBHJUUYHCFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-6-5-7-21(12-16)30(26,27)24(19-8-10-20(28-4)11-9-19)15-22(25)23-13-17(2)29-18(3)14-23/h5-12,17-18H,13-15H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide has a molecular weight of 432.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 42971246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).