N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide

C19H32N2O4S — CID 86965922

IUPACN-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide
SMILESCC1CCC(C(C)C)N(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1
InChIInChI=1S/C19H32N2O4S/c1-13(2)15-8-7-14(3)11-12-21(15)18(22)16-9-10-17(25-16)26(23,24)20-19(4,5)6/h9-10,13-15,20H,7-8,11-12H2,1-6H3
InChIKeyQKCADXCKWHWHSY-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.64
Rot. Bonds4

About N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide

N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide (PubChem CID 86965922) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide
PubChem CID86965922
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide
SMILESCC1CCC(C(C)C)N(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1
InChIInChI=1S/C19H32N2O4S/c1-13(2)15-8-7-14(3)11-12-21(15)18(22)16-9-10-17(25-16)26(23,24)20-19(4,5)6/h9-10,13-15,20H,7-8,11-12H2,1-6H3
InChIKeyQKCADXCKWHWHSY-UHFFFAOYSA-N
XLogP3.64
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide (CID 86965922) is N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide is CC1CCC(C(C)C)N(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1.
What is the InChIKey of N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide?
The InChIKey is QKCADXCKWHWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-13(2)15-8-7-14(3)11-12-21(15)18(22)16-9-10-17(25-16)26(23,24)20-19(4,5)6/h9-10,13-15,20H,7-8,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide?
N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide has a molecular weight of 384.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide is sourced from PubChem (CID 86965922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).