N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C22H28N2O5S — CID 55592249

IUPACN-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O5S/c1-5-24(19-13-16(2)12-17(3)14-19)22(25)18-6-7-20(28-4)21(15-18)30(26,27)23-8-10-29-11-9-23/h6-7,12-15H,5,8-11H2,1-4H3
InChIKeyXXBVJHTVZODOCQ-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.00
Rot. Bonds6

About N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55592249) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55592249
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O5S/c1-5-24(19-13-16(2)12-17(3)14-19)22(25)18-6-7-20(28-4)21(15-18)30(26,27)23-8-10-29-11-9-23/h6-7,12-15H,5,8-11H2,1-4H3
InChIKeyXXBVJHTVZODOCQ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 17433061
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
CID 30797429

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 55592249) is N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XXBVJHTVZODOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-5-24(19-13-16(2)12-17(3)14-19)22(25)18-6-7-20(28-4)21(15-18)30(26,27)23-8-10-29-11-9-23/h6-7,12-15H,5,8-11H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 432.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55592249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).