N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide

C22H20N2O5S — CID 167775679

IUPACN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide
SMILESCC1Oc2ccc(S(=O)(=O)NC(=O)C(C)c3ccc4ccccc4c3)cc2NC1=O
InChIInChI=1S/C22H20N2O5S/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)21(25)24-30(27,28)18-9-10-20-19(12-18)23-22(26)14(2)29-20/h3-14H,1-2H3,(H,23,26)(H,24,25)
InChIKeyJLELJSFJKRTLJW-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.17
Rot. Bonds4

About N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide (PubChem CID 167775679) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide
PubChem CID167775679
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide
SMILESCC1Oc2ccc(S(=O)(=O)NC(=O)C(C)c3ccc4ccccc4c3)cc2NC1=O
InChIInChI=1S/C22H20N2O5S/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)21(25)24-30(27,28)18-9-10-20-19(12-18)23-22(26)14(2)29-20/h3-14H,1-2H3,(H,23,26)(H,24,25)
InChIKeyJLELJSFJKRTLJW-UHFFFAOYSA-N
XLogP3.17
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide?
The IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide (CID 167775679) is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide is CC1Oc2ccc(S(=O)(=O)NC(=O)C(C)c3ccc4ccccc4c3)cc2NC1=O.
What is the InChIKey of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide?
The InChIKey is JLELJSFJKRTLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)21(25)24-30(27,28)18-9-10-20-19(12-18)23-22(26)14(2)29-20/h3-14H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide?
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide has a molecular weight of 424.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-naphthalen-2-ylpropanamide is sourced from PubChem (CID 167775679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).