N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C23H31N3O4S — CID 43044444

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-16-5-6-17(2)22(13-16)31(28,29)25-21-9-7-20(8-10-21)23(27)24-11-12-26-14-18(3)30-19(4)15-26/h5-10,13,18-19,25H,11-12,14-15H2,1-4H3,(H,24,27)
InChIKeyRNBPJXYOUNCWPA-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 43044444) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID43044444
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-16-5-6-17(2)22(13-16)31(28,29)25-21-9-7-20(8-10-21)23(27)24-11-12-26-14-18(3)30-19(4)15-26/h5-10,13,18-19,25H,11-12,14-15H2,1-4H3,(H,24,27)
InChIKeyRNBPJXYOUNCWPA-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 42939983
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43044296
4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386321
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 22108828
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 31444791

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 43044444) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN3CC(C)OC(C)C3)cc2)c1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is RNBPJXYOUNCWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-16-5-6-17(2)22(13-16)31(28,29)25-21-9-7-20(8-10-21)23(27)24-11-12-26-14-18(3)30-19(4)15-26/h5-10,13,18-19,25H,11-12,14-15H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 43044444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).