1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol

C19H26N4O4S — CID 55680878

IUPAC1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
SMILESCOc1ccc(C(O)CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C19H26N4O4S/c1-22-9-11-23(12-10-22)28(25,26)17-7-8-19(20-13-17)21-14-18(24)15-3-5-16(27-2)6-4-15/h3-8,13,18,24H,9-12,14H2,1-2H3,(H,20,21)
InChIKeyRNLZQGJQKKITFJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.17
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol

1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol (PubChem CID 55680878) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
PubChem CID55680878
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
SMILESCOc1ccc(C(O)CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C19H26N4O4S/c1-22-9-11-23(12-10-22)28(25,26)17-7-8-19(20-13-17)21-14-18(24)15-3-5-16(27-2)6-4-15/h3-8,13,18,24H,9-12,14H2,1-2H3,(H,20,21)
InChIKeyRNLZQGJQKKITFJ-UHFFFAOYSA-N
XLogP1.17
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55521187
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
CID 108774984
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133406055
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133466589

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol (CID 55680878) is 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol is COc1ccc(C(O)CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol?
The InChIKey is RNLZQGJQKKITFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-22-9-11-23(12-10-22)28(25,26)17-7-8-19(20-13-17)21-14-18(24)15-3-5-16(27-2)6-4-15/h3-8,13,18,24H,9-12,14H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol?
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol has a molecular weight of 406.51 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 55680878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).