2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol

C16H17N3O3S2 — CID 19392297

IUPAC2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
SMILESO=S(=O)(CCO)CCNc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H17N3O3S2/c20-8-11-24(21,22)10-7-17-15-12-4-1-2-5-13(12)18-16(19-15)14-6-3-9-23-14/h1-6,9,20H,7-8,10-11H2,(H,17,18,19)
InChIKeyORHJWYCLIJRVGY-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol

2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol (PubChem CID 19392297) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
PubChem CID19392297
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
SMILESO=S(=O)(CCO)CCNc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H17N3O3S2/c20-8-11-24(21,22)10-7-17-15-12-4-1-2-5-13(12)18-16(19-15)14-6-3-9-23-14/h1-6,9,20H,7-8,10-11H2,(H,17,18,19)
InChIKeyORHJWYCLIJRVGY-UHFFFAOYSA-N
XLogP2.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]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

6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
CID 42809298
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133281392
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
piperidin-1-yl-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]methanone
CID 26448373
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol?
The IUPAC name of 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol (CID 19392297) is 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol.
What is the SMILES notation for 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol?
The canonical SMILES for 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol is O=S(=O)(CCO)CCNc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol?
The InChIKey is ORHJWYCLIJRVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c20-8-11-24(21,22)10-7-17-15-12-4-1-2-5-13(12)18-16(19-15)14-6-3-9-23-14/h1-6,9,20H,7-8,10-11H2,(H,17,18,19).
What are the key properties of 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol?
2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol has a molecular weight of 363.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol is sourced from PubChem (CID 19392297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).