N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide

C23H28N2O4S — CID 70691624

IUPACN-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
SMILESCCOC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC
InChIInChI=1S/C23H28N2O4S/c1-4-29-23(22-11-8-16-25(22)17-18-28-3)19-12-14-20(15-13-19)24(2)30(26,27)21-9-6-5-7-10-21/h5-16,23H,4,17-18H2,1-3H3
InChIKeyCZIYSWLPBFIIQQ-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.09
Rot. Bonds10

About N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide

N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 70691624) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID70691624
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
SMILESCCOC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC
InChIInChI=1S/C23H28N2O4S/c1-4-29-23(22-11-8-16-25(22)17-18-28-3)19-12-14-20(15-13-19)24(2)30(26,27)21-9-6-5-7-10-21/h5-16,23H,4,17-18H2,1-3H3
InChIKeyCZIYSWLPBFIIQQ-UHFFFAOYSA-N
XLogP4.09
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide (CID 70691624) is N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide is CCOC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC.
What is the InChIKey of N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is CZIYSWLPBFIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-29-23(22-11-8-16-25(22)17-18-28-3)19-12-14-20(15-13-19)24(2)30(26,27)21-9-6-5-7-10-21/h5-16,23H,4,17-18H2,1-3H3.
What are the key properties of N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethoxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 70691624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).