N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C19H24N2O4S — CID 46335942

IUPACN-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCC(CCc1ccco1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H24N2O4S/c1-14(8-9-16-6-4-12-25-16)21(2)26(23,24)17-10-11-18-15(13-17)5-3-7-19(22)20-18/h4,6,10-14H,3,5,7-9H2,1-2H3,(H,20,22)
InChIKeyWBPPTCOGXSVRGC-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.20
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 46335942) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID46335942
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCC(CCc1ccco1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H24N2O4S/c1-14(8-9-16-6-4-12-25-16)21(2)26(23,24)17-10-11-18-15(13-17)5-3-7-19(22)20-18/h4,6,10-14H,3,5,7-9H2,1-2H3,(H,20,22)
InChIKeyWBPPTCOGXSVRGC-UHFFFAOYSA-N
XLogP3.20
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 46335942) is N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is CC(CCc1ccco1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is WBPPTCOGXSVRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(8-9-16-6-4-12-25-16)21(2)26(23,24)17-10-11-18-15(13-17)5-3-7-19(22)20-18/h4,6,10-14H,3,5,7-9H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 46335942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).