N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C24H39N3O4S — CID 59231308

IUPACN-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)N1C(=O)C(C)(C)Oc2cc(NCC3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21
InChIInChI=1S/C24H39N3O4S/c1-16(2)27-20-13-12-19(14-21(20)31-24(6,7)22(27)28)25-15-17-8-10-18(11-9-17)26-32(29,30)23(3,4)5/h12-14,16-18,25-26H,8-11,15H2,1-7H3
InChIKeyQPHZJZHPAGFJJQ-UHFFFAOYSA-N
MW465.66 g/mol
LogP4.29
Rot. Bonds6

About N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 59231308) has the molecular formula C24H39N3O4S and a molecular weight of 465.66 g/mol. Its IUPAC name is N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID59231308
Molecular FormulaC24H39N3O4S
Molecular Weight465.66 g/mol
Exact Mass465.27
IUPAC NameN-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)N1C(=O)C(C)(C)Oc2cc(NCC3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21
InChIInChI=1S/C24H39N3O4S/c1-16(2)27-20-13-12-19(14-21(20)31-24(6,7)22(27)28)25-15-17-8-10-18(11-9-17)26-32(29,30)23(3,4)5/h12-14,16-18,25-26H,8-11,15H2,1-7H3
InChIKeyQPHZJZHPAGFJJQ-UHFFFAOYSA-N
XLogP4.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 59231308) is N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)N1C(=O)C(C)(C)Oc2cc(NCC3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21.
What is the InChIKey of N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is QPHZJZHPAGFJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4S/c1-16(2)27-20-13-12-19(14-21(20)31-24(6,7)22(27)28)25-15-17-8-10-18(11-9-17)26-32(29,30)23(3,4)5/h12-14,16-18,25-26H,8-11,15H2,1-7H3.
What are the key properties of N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 465.66 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 59231308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).