4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide

C20H27N3O3S — CID 130246316

IUPAC4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(nc2C)CCN(CC)CC3)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-23-12-10-16-14-20(15(3)21-19(16)11-13-23)22-27(24,25)18-8-6-17(7-9-18)26-5-2/h6-9,14,22H,4-5,10-13H2,1-3H3
InChIKeyWAYMSWKCTGTWRD-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.01
Rot. Bonds6

About 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide

4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide (PubChem CID 130246316) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
PubChem CID130246316
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(nc2C)CCN(CC)CC3)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-23-12-10-16-14-20(15(3)21-19(16)11-13-23)22-27(24,25)18-8-6-17(7-9-18)26-5-2/h6-9,14,22H,4-5,10-13H2,1-3H3
InChIKeyWAYMSWKCTGTWRD-UHFFFAOYSA-N
XLogP3.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide with MolForge

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Related Compounds

4-(difluoromethoxy)-N-(7-ethyl-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130246402
4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
N-(1,5-dimethylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 22209123
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-(7-ethyl-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 130246682
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 126823958
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-ethoxybenzenesulfonamide
CID 39339831
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide (CID 130246316) is 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc3c(nc2C)CCN(CC)CC3)cc1.
What is the InChIKey of 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide?
The InChIKey is WAYMSWKCTGTWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-23-12-10-16-14-20(15(3)21-19(16)11-13-23)22-27(24,25)18-8-6-17(7-9-18)26-5-2/h6-9,14,22H,4-5,10-13H2,1-3H3.
What are the key properties of 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide?
4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide is sourced from PubChem (CID 130246316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).