N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide

C18H26N4O2S — CID 168791226

IUPACN-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H26N4O2S/c1-14(2)21-25(23,24)11-9-15-6-5-10-22(12-15)18-16-7-3-4-8-17(16)19-13-20-18/h3-4,7-8,13-15,21H,5-6,9-12H2,1-2H3
InChIKeyLHROHZDYHHTCPV-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.56
Rot. Bonds6

About N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide

N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide (PubChem CID 168791226) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
PubChem CID168791226
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H26N4O2S/c1-14(2)21-25(23,24)11-9-15-6-5-10-22(12-15)18-16-7-3-4-8-17(16)19-13-20-18/h3-4,7-8,13-15,21H,5-6,9-12H2,1-2H3
InChIKeyLHROHZDYHHTCPV-UHFFFAOYSA-N
XLogP2.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide?
The IUPAC name of N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide (CID 168791226) is N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide is CC(C)NS(=O)(=O)CCC1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide?
The InChIKey is LHROHZDYHHTCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14(2)21-25(23,24)11-9-15-6-5-10-22(12-15)18-16-7-3-4-8-17(16)19-13-20-18/h3-4,7-8,13-15,21H,5-6,9-12H2,1-2H3.
What are the key properties of N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide?
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 168791226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).