4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole

C22H25NO3S — CID 101492715

IUPAC4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole
SMILESCCOc1c(C)c(C)n(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C22H25NO3S/c1-6-26-22-17(4)18(5)23(21(22)19-11-7-15(2)8-12-19)27(24,25)20-13-9-16(3)10-14-20/h7-14H,6H2,1-5H3
InChIKeyCWHFNTBWOJZFLI-UHFFFAOYSA-N
MW383.51 g/mol
LogP5.02
Rot. Bonds5

About 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole

4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 101492715) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID101492715
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole
SMILESCCOc1c(C)c(C)n(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C22H25NO3S/c1-6-26-22-17(4)18(5)23(21(22)19-11-7-15(2)8-12-19)27(24,25)20-13-9-16(3)10-14-20/h7-14H,6H2,1-5H3
InChIKeyCWHFNTBWOJZFLI-UHFFFAOYSA-N
XLogP5.02
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 173212087
1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(4-methylphenyl)-1,2,4-triazole
CID 42729444
2-(diethoxymethyl)-3-methyl-1-(4-methylphenyl)sulfonylindole
CID 10620251
4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 19588047
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
3-methyl-2-(4-methylphenyl)sulfonyl-1-phenyl-6,7-dihydropyrano[3,4-c]pyrrol-4-one
CID 132595345
2-[4,6-dimethyl-5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-4,6-dimethyl-5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrole
CID 139230888
2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691790
2,3-diethoxy-1,4-bis-(4-methylphenyl)sulfonylpiperazine
CID 2844836
4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
CID 135693305
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole (CID 101492715) is 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole is CCOc1c(C)c(C)n(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(C)cc1.
What is the InChIKey of 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is CWHFNTBWOJZFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-6-26-22-17(4)18(5)23(21(22)19-11-7-15(2)8-12-19)27(24,25)20-13-9-16(3)10-14-20/h7-14H,6H2,1-5H3.
What are the key properties of 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole?
4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 383.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 101492715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).