N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide

C19H18N2O6S — CID 46394800

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1
InChIInChI=1S/C19H18N2O6S/c1-24-14-3-5-17(25-2)12(7-14)10-21-28(22,23)15-4-6-18-16(8-15)19-13(11-26-18)9-20-27-19/h3-9,21H,10-11H2,1-2H3
InChIKeySHJUFBASZQGCND-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.73
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide

N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (PubChem CID 46394800) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
PubChem CID46394800
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1
InChIInChI=1S/C19H18N2O6S/c1-24-14-3-5-17(25-2)12(7-14)10-21-28(22,23)15-4-6-18-16(8-15)19-13(11-26-18)9-20-27-19/h3-9,21H,10-11H2,1-2H3
InChIKeySHJUFBASZQGCND-UHFFFAOYSA-N
XLogP2.73
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394791
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394722
N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394712
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3684547
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
N-[(2,5-dimethoxyphenyl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132757
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752
N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935436
8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
CID 55255299

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (CID 46394800) is N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is COc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The InChIKey is SHJUFBASZQGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-24-14-3-5-17(25-2)12(7-14)10-21-28(22,23)15-4-6-18-16(8-15)19-13(11-26-18)9-20-27-19/h3-9,21H,10-11H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide has a molecular weight of 402.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is sourced from PubChem (CID 46394800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).