N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide

C24H24N2O5S2 — CID 53132888

IUPACN-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(-c2nc(CN(c3ccc(C)cc3)S(=O)(=O)c3cccs3)c(C)o2)c1OC
InChIInChI=1S/C24H24N2O5S2/c1-16-10-12-18(13-11-16)26(33(27,28)22-9-6-14-32-22)15-20-17(2)31-24(25-20)19-7-5-8-21(29-3)23(19)30-4/h5-14H,15H2,1-4H3
InChIKeyBAOCAHVRTVSJQY-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.43
Rot. Bonds8

About N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide

N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 53132888) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
PubChem CID53132888
Molecular FormulaC24H24N2O5S2
Molecular Weight484.60 g/mol
Exact Mass484.11
IUPAC NameN-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(-c2nc(CN(c3ccc(C)cc3)S(=O)(=O)c3cccs3)c(C)o2)c1OC
InChIInChI=1S/C24H24N2O5S2/c1-16-10-12-18(13-11-16)26(33(27,28)22-9-6-14-32-22)15-20-17(2)31-24(25-20)19-7-5-8-21(29-3)23(19)30-4/h5-14H,15H2,1-4H3
InChIKeyBAOCAHVRTVSJQY-UHFFFAOYSA-N
XLogP5.43
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 53051081
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 53051082
N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 29259208
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45179469
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110673689
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24623442
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
CID 47059713
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281519

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide (CID 53132888) is N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide is COc1cccc(-c2nc(CN(c3ccc(C)cc3)S(=O)(=O)c3cccs3)c(C)o2)c1OC.
What is the InChIKey of N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is BAOCAHVRTVSJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S2/c1-16-10-12-18(13-11-16)26(33(27,28)22-9-6-14-32-22)15-20-17(2)31-24(25-20)19-7-5-8-21(29-3)23(19)30-4/h5-14H,15H2,1-4H3.
What are the key properties of N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 484.60 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53132888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).