N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide

C19H24N2O4S — CID 126808149

IUPACN,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCc3occc3C2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H24N2O4S/c1-13-10-16(11-18(14(13)2)26(23,24)20(3)4)19(22)21-8-5-6-17-15(12-21)7-9-25-17/h7,9-11H,5-6,8,12H2,1-4H3
InChIKeyJEJFRWXUKYNMET-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.74
Rot. Bonds3

About N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide

N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide (PubChem CID 126808149) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide
PubChem CID126808149
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCc3occc3C2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H24N2O4S/c1-13-10-16(11-18(14(13)2)26(23,24)20(3)4)19(22)21-8-5-6-17-15(12-21)7-9-25-17/h7,9-11H,5-6,8,12H2,1-4H3
InChIKeyJEJFRWXUKYNMET-UHFFFAOYSA-N
XLogP2.74
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide with MolForge

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Related Compounds

tert-butyl 4-[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]piperazine-1-carboxylate
CID 46685805
N,N,2,3-tetramethyl-5-[(2R)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 42000467
(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 128714957
2-[4-[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603028
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043512
2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167859052
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidine-1-carbonyl]-N,N,2,3-tetramethylbenzenesulfonamide
CID 166261806
5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110646920
N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 110721530
N,N,2,3-tetramethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 46816018
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 166210041

Frequently Asked Questions

What is the IUPAC name of N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide?
The IUPAC name of N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide (CID 126808149) is N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide is Cc1cc(C(=O)N2CCCc3occc3C2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide?
The InChIKey is JEJFRWXUKYNMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-10-16(11-18(14(13)2)26(23,24)20(3)4)19(22)21-8-5-6-17-15(12-21)7-9-25-17/h7,9-11H,5-6,8,12H2,1-4H3.
What are the key properties of N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide?
N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide is sourced from PubChem (CID 126808149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).