N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide

C20H24N2O4S — CID 110404901

IUPACN-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCN1C(=O)C(CCNS(=O)(=O)CCCc2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H24N2O4S/c1-22-17-11-5-6-12-18(17)26-19(20(22)23)13-14-21-27(24,25)15-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,19,21H,7,10,13-15H2,1H3
InChIKeyYYHJTOKGECUONP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.35
Rot. Bonds8

About N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110404901) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID110404901
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCN1C(=O)C(CCNS(=O)(=O)CCCc2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H24N2O4S/c1-22-17-11-5-6-12-18(17)26-19(20(22)23)13-14-21-27(24,25)15-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,19,21H,7,10,13-15H2,1H3
InChIKeyYYHJTOKGECUONP-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide
CID 110404885
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110404908
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
CID 110404582
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
CID 110404823
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide (CID 110404901) is N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide is CN1C(=O)C(CCNS(=O)(=O)CCCc2ccccc2)Oc2ccccc21.
What is the InChIKey of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is YYHJTOKGECUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-22-17-11-5-6-12-18(17)26-19(20(22)23)13-14-21-27(24,25)15-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,19,21H,7,10,13-15H2,1H3.
What are the key properties of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110404901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).