N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C17H18N2O5S2 — CID 53079287

IUPACN-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1
InChIInChI=1S/C17H18N2O5S2/c1-10-7-15(24-18-10)16-9-17(11(2)25-16)26(20,21)19-13-8-12(22-3)5-6-14(13)23-4/h5-9,19H,1-4H3
InChIKeyAVAYOISPQQVRHT-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.84
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079287) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079287
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1
InChIInChI=1S/C17H18N2O5S2/c1-10-7-15(24-18-10)16-9-17(11(2)25-16)26(20,21)19-13-8-12(22-3)5-6-14(13)23-4/h5-9,19H,1-4H3
InChIKeyAVAYOISPQQVRHT-UHFFFAOYSA-N
XLogP3.84
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821998
N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079288
N-(3,5-dimethylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079297
N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079301
N-(4-methoxyphenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079438
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041645
N-(2,4-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396381
N-(2,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913991
2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079292
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079287) is N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is AVAYOISPQQVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-10-7-15(24-18-10)16-9-17(11(2)25-16)26(20,21)19-13-8-12(22-3)5-6-14(13)23-4/h5-9,19H,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.84, 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)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).