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

C24H30N2O3S — CID 10216587

IUPACN-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide
SMILESCCCC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC
InChIInChI=1S/C24H30N2O3S/c1-4-9-23(24-12-8-17-26(24)18-19-29-3)20-13-15-21(16-14-20)25(2)30(27,28)22-10-6-5-7-11-22/h5-8,10-17,23H,4,9,18-19H2,1-3H3
InChIKeySGSAIHHRYHYLCH-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.89
Rot. Bonds10

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

N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 10216587) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID10216587
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide
SMILESCCCC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC
InChIInChI=1S/C24H30N2O3S/c1-4-9-23(24-12-8-17-26(24)18-19-29-3)20-13-15-21(16-14-20)25(2)30(27,28)22-10-6-5-7-11-22/h5-8,10-17,23H,4,9,18-19H2,1-3H3
InChIKeySGSAIHHRYHYLCH-UHFFFAOYSA-N
XLogP4.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide (CID 10216587) is N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide is CCCC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC.
What is the InChIKey of N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is SGSAIHHRYHYLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-4-9-23(24-12-8-17-26(24)18-19-29-3)20-13-15-21(16-14-20)25(2)30(27,28)22-10-6-5-7-11-22/h5-8,10-17,23H,4,9,18-19H2,1-3H3.
What are the key properties of N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 426.58 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[1-(2-methoxyethyl)pyrrol-2-yl]butyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 10216587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).