N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide

C18H26N2O3S — CID 110415785

IUPACN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCCc2cc(C)[nH]c2C)cc1C
InChIInChI=1S/C18H26N2O3S/c1-6-23-17-9-13(3)18(10-12(17)2)24(21,22)19-8-7-16-11-14(4)20-15(16)5/h9-11,19-20H,6-8H2,1-5H3
InChIKeyOAZXPBYUKZWZJM-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110415785) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110415785
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCCc2cc(C)[nH]c2C)cc1C
InChIInChI=1S/C18H26N2O3S/c1-6-23-17-9-13(3)18(10-12(17)2)24(21,22)19-8-7-16-11-14(4)20-15(16)5/h9-11,19-20H,6-8H2,1-5H3
InChIKeyOAZXPBYUKZWZJM-UHFFFAOYSA-N
XLogP3.17
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643
4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
CID 110731910
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110641956
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
CID 50876879
4-ethoxy-2,5-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401639
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720166
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641583
4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 110357493
N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-2,5-dimethyl-4-propoxybenzenesulfonamide
CID 5295257
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide (CID 110415785) is N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCCc2cc(C)[nH]c2C)cc1C.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is OAZXPBYUKZWZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-6-23-17-9-13(3)18(10-12(17)2)24(21,22)19-8-7-16-11-14(4)20-15(16)5/h9-11,19-20H,6-8H2,1-5H3.
What are the key properties of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide?
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110415785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).