N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C23H30N2O6S — CID 55580765

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O6S/c1-15-13-25(14-16(2)31-15)32(27,28)20-9-6-18(7-10-20)23(26)24-17(3)21-11-8-19(29-4)12-22(21)30-5/h6-12,15-17H,13-14H2,1-5H3,(H,24,26)
InChIKeyRBLRIPKFEYTVHS-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.99
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 55580765) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID55580765
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O6S/c1-15-13-25(14-16(2)31-15)32(27,28)20-9-6-18(7-10-20)23(26)24-17(3)21-11-8-19(29-4)12-22(21)30-5/h6-12,15-17H,13-14H2,1-5H3,(H,24,26)
InChIKeyRBLRIPKFEYTVHS-UHFFFAOYSA-N
XLogP2.99
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55579424
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 98449460
methyl (2S)-2-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-3-hydroxypropanoate
CID 9277670
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55580165
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 51437066
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
N-[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98766905

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 55580765) is N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is COc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is RBLRIPKFEYTVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-15-13-25(14-16(2)31-15)32(27,28)20-9-6-18(7-10-20)23(26)24-17(3)21-11-8-19(29-4)12-22(21)30-5/h6-12,15-17H,13-14H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 55580765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).