3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C20H24N2O6S — CID 1289307

IUPAC3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C20H24N2O6S/c1-21(29(24,25)17-8-9-18(26-2)19(14-17)27-3)16-6-4-15(5-7-16)20(23)22-10-12-28-13-11-22/h4-9,14H,10-13H2,1-3H3
InChIKeyNFTSKVSHKXMMEI-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.00
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1289307) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID1289307
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C20H24N2O6S/c1-21(29(24,25)17-8-9-18(26-2)19(14-17)27-3)16-6-4-15(5-7-16)20(23)22-10-12-28-13-11-22/h4-9,14H,10-13H2,1-3H3
InChIKeyNFTSKVSHKXMMEI-UHFFFAOYSA-N
XLogP2.00
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 2972000
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
CID 70097641
N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1294119
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2979059
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 1289307) is 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is NFTSKVSHKXMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-21(29(24,25)17-8-9-18(26-2)19(14-17)27-3)16-6-4-15(5-7-16)20(23)22-10-12-28-13-11-22/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1289307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).