4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

C19H28N2O3S — CID 110415643

IUPAC4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCCc2cc(C)n(C)c2C)cc1C
InChIInChI=1S/C19H28N2O3S/c1-7-24-18-10-14(3)19(11-13(18)2)25(22,23)20-9-8-17-12-15(4)21(6)16(17)5/h10-12,20H,7-9H2,1-6H3
InChIKeyBPXSTLVMQLKRQQ-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.18
Rot. Bonds7

About 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110415643) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110415643
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCCc2cc(C)n(C)c2C)cc1C
InChIInChI=1S/C19H28N2O3S/c1-7-24-18-10-14(3)19(11-13(18)2)25(22,23)20-9-8-17-12-15(4)21(6)16(17)5/h10-12,20H,7-9H2,1-6H3
InChIKeyBPXSTLVMQLKRQQ-UHFFFAOYSA-N
XLogP3.18
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110415785
2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641451
4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
CID 110731910
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
2-methoxy-4,5-dimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642099
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110641438
4-ethoxy-2,5-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401639
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
CID 50876879
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720166
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110416008
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110737152

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110415643) is 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCCc2cc(C)n(C)c2C)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is BPXSTLVMQLKRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-7-24-18-10-14(3)19(11-13(18)2)25(22,23)20-9-8-17-12-15(4)21(6)16(17)5/h10-12,20H,7-9H2,1-6H3.
What are the key properties of 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 364.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110415643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).