N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C17H18N2O5S — CID 110288023

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(10-9-12-3-5-13(23-2)6-4-12)25(21,22)14-7-8-15-16(11-14)24-17(20)18-15/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyZGZBHSVBACGOHA-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110288023) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110288023
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(10-9-12-3-5-13(23-2)6-4-12)25(21,22)14-7-8-15-16(11-14)24-17(20)18-15/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyZGZBHSVBACGOHA-UHFFFAOYSA-N
XLogP1.99
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enyl-3H-1,3-benzoxazole-6-sulfonamide
CID 3794284
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648158
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110663726
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 2002479
6-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115216444
2-[methyl-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]amino]acetonitrile
CID 115131416
2-[methyl-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]amino]acetaldehyde
CID 115223434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110288023) is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is COc1ccc(CCN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZGZBHSVBACGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-19(10-9-12-3-5-13(23-2)6-4-12)25(21,22)14-7-8-15-16(11-14)24-17(20)18-15/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110288023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).