4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C24H24N2O4S — CID 133229166

IUPAC4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(CNC(=O)C1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-18(19-10-4-2-5-11-19)16-25-24(27)23-17-26(21-14-8-9-15-22(21)30-23)31(28,29)20-12-6-3-7-13-20/h2-15,18,23H,16-17H2,1H3,(H,25,27)
InChIKeyKLWLXBPJYCZCTP-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.56
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 133229166) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID133229166
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(CNC(=O)C1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-18(19-10-4-2-5-11-19)16-25-24(27)23-17-26(21-14-8-9-15-22(21)30-23)31(28,29)20-12-6-3-7-13-20/h2-15,18,23H,16-17H2,1H3,(H,25,27)
InChIKeyKLWLXBPJYCZCTP-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-chloro-4-(4-methoxyphenyl)sulfonyl-N-[(2S)-2-phenylpropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125064737
(2S)-4-(benzenesulfonyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92672024
(2R)-4-(benzenesulfonyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92678043
4-(benzenesulfonyl)-N-[1-(4-ethylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133162437
4-(benzenesulfonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133165161
(2R)-4-(benzenesulfonyl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95080026
(2S)-4-(4-methylphenyl)sulfonyl-N-[(1R)-1-phenylpropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 99130748
4-(benzenesulfonyl)-N-[1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53280681
4-(benzenesulfonyl)-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096458
4-(benzenesulfonyl)-N-[2-(4-methoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133229172
(2R)-4-(benzenesulfonyl)-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95080090
N-benzyl-4-[4-(methanesulfonamido)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239577

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 133229166) is 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(CNC(=O)C1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is KLWLXBPJYCZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-18(19-10-4-2-5-11-19)16-25-24(27)23-17-26(21-14-8-9-15-22(21)30-23)31(28,29)20-12-6-3-7-13-20/h2-15,18,23H,16-17H2,1H3,(H,25,27).
What are the key properties of 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 133229166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).