N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C20H22N2O4S — CID 20936124

IUPACN-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2O4S/c1-13-6-8-17(10-14(13)2)22(4)27(23,24)20-12-16(7-9-18(20)25-5)19-11-15(3)21-26-19/h6-12H,1-5H3
InChIKeyQPOGVXKFQYTXBE-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.10
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20936124) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20936124
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2O4S/c1-13-6-8-17(10-14(13)2)22(4)27(23,24)20-12-16(7-9-18(20)25-5)19-11-15(3)21-26-19/h6-12H,1-5H3
InChIKeyQPOGVXKFQYTXBE-UHFFFAOYSA-N
XLogP4.10
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094849
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
CID 20936125
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 45498593
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936436
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936121
N-cyclohexyl-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934956
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
N-(furan-2-ylmethyl)-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935015

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20936124) is N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is QPOGVXKFQYTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-6-8-17(10-14(13)2)22(4)27(23,24)20-12-16(7-9-18(20)25-5)19-11-15(3)21-26-19/h6-12H,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20936124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).