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

C23H28N2O4S — CID 10238133

IUPACN-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide
SMILESCCC(O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC
InChIInChI=1S/C23H28N2O4S/c1-4-23(26,22-11-8-16-25(22)17-18-29-3)19-12-14-20(15-13-19)24(2)30(27,28)21-9-6-5-7-10-21/h5-16,26H,4,17-18H2,1-3H3
InChIKeyOOPAUHGGHCCMGD-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.61
Rot. Bonds9

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

N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 10238133) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID10238133
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide
SMILESCCC(O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC
InChIInChI=1S/C23H28N2O4S/c1-4-23(26,22-11-8-16-25(22)17-18-29-3)19-12-14-20(15-13-19)24(2)30(27,28)21-9-6-5-7-10-21/h5-16,26H,4,17-18H2,1-3H3
InChIKeyOOPAUHGGHCCMGD-UHFFFAOYSA-N
XLogP3.61
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide (CID 10238133) is N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide is CCC(O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC.
What is the InChIKey of N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is OOPAUHGGHCCMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-23(26,22-11-8-16-25(22)17-18-29-3)19-12-14-20(15-13-19)24(2)30(27,28)21-9-6-5-7-10-21/h5-16,26H,4,17-18H2,1-3H3.
What are the key properties of N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-2-yl]propyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 10238133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).