N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

C20H22N4O4S2 — CID 45207609

IUPACN-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C(COc1ncnc2ccccc12)N1CCCC(CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C20H22N4O4S2/c25-18(13-28-20-16-6-1-2-7-17(16)21-14-22-20)24-9-3-5-15(12-24)11-23-30(26,27)19-8-4-10-29-19/h1-2,4,6-8,10,14-15,23H,3,5,9,11-13H2
InChIKeyYLQACEAKRCSBGU-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.29
Rot. Bonds7

About N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 45207609) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID45207609
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C(COc1ncnc2ccccc12)N1CCCC(CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C20H22N4O4S2/c25-18(13-28-20-16-6-1-2-7-17(16)21-14-22-20)24-9-3-5-15(12-24)11-23-30(26,27)19-8-4-10-29-19/h1-2,4,6-8,10,14-15,23H,3,5,9,11-13H2
InChIKeyYLQACEAKRCSBGU-UHFFFAOYSA-N
XLogP2.29
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42475731
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45252310
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N-[[(3S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42510091
N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 25489580
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 166318304
N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42557854
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 45207609) is N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is O=C(COc1ncnc2ccccc12)N1CCCC(CNS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is YLQACEAKRCSBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c25-18(13-28-20-16-6-1-2-7-17(16)21-14-22-20)24-9-3-5-15(12-24)11-23-30(26,27)19-8-4-10-29-19/h1-2,4,6-8,10,14-15,23H,3,5,9,11-13H2.
What are the key properties of N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 446.55 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45207609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).