N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide

C21H23N3O5S — CID 20954810

IUPACN-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C21H23N3O5S/c1-2-19(25)22-15-7-9-16(10-8-15)30(27,28)24-13-11-21(12-14-24)23-20(26)17-5-3-4-6-18(17)29-21/h3-10H,2,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyJUMRDBPEYNJBCI-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide

N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide (PubChem CID 20954810) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
PubChem CID20954810
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C21H23N3O5S/c1-2-19(25)22-15-7-9-16(10-8-15)30(27,28)24-13-11-21(12-14-24)23-20(26)17-5-3-4-6-18(17)29-21/h3-10H,2,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyJUMRDBPEYNJBCI-UHFFFAOYSA-N
XLogP2.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
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2-(2',4-dioxospiro[3H-1,3-benzoxazine-2,5'-azepane]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
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2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
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N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide
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N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
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N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
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N-(4-morpholin-4-ylsulfonylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide?
The IUPAC name of N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide (CID 20954810) is N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1.
What is the InChIKey of N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide?
The InChIKey is JUMRDBPEYNJBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-2-19(25)22-15-7-9-16(10-8-15)30(27,28)24-13-11-21(12-14-24)23-20(26)17-5-3-4-6-18(17)29-21/h3-10H,2,11-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide?
N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide has a molecular weight of 429.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 20954810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).