N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C21H26N2O5S — CID 999452

IUPACN-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O5S/c1-16-4-7-18(8-5-16)29(25,26)23(15-21(24)22-10-12-28-13-11-22)19-14-17(2)6-9-20(19)27-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyPOPGIUDTAFHSDN-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.37
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 999452) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID999452
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O5S/c1-16-4-7-18(8-5-16)29(25,26)23(15-21(24)22-10-12-28-13-11-22)19-14-17(2)6-9-20(19)27-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyPOPGIUDTAFHSDN-UHFFFAOYSA-N
XLogP2.37
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
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N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 846406
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CID 1001017
N-(2-Methoxy-phenyl)-4-methyl-N-oxiranylmethyl-benzenesulfonamide
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CID 16247590
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(2-ethoxyphenyl)benzenesulfonamide
CID 1129490
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 999452) is N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is COc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is POPGIUDTAFHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16-4-7-18(8-5-16)29(25,26)23(15-21(24)22-10-12-28-13-11-22)19-14-17(2)6-9-20(19)27-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 999452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).