N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H22N4O4S — CID 136962420

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(=O)[nH]c(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1
InChIInChI=1S/C18H22N4O4S/c1-12-10-17(23)20-18(19-12)22-7-4-14(5-8-22)21-27(24,25)15-2-3-16-13(11-15)6-9-26-16/h2-3,10-11,14,21H,4-9H2,1H3,(H,19,20,23)
InChIKeyOKVLOFLESGHPPJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.96
Rot. Bonds4

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 136962420) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID136962420
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(=O)[nH]c(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1
InChIInChI=1S/C18H22N4O4S/c1-12-10-17(23)20-18(19-12)22-7-4-14(5-8-22)21-27(24,25)15-2-3-16-13(11-15)6-9-26-16/h2-3,10-11,14,21H,4-9H2,1H3,(H,19,20,23)
InChIKeyOKVLOFLESGHPPJ-UHFFFAOYSA-N
XLogP0.96
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
CID 139006719
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55542508
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 176502937
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129005271
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967
N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759146

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 136962420) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1cc(=O)[nH]c(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is OKVLOFLESGHPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-10-17(23)20-18(19-12)22-7-4-14(5-8-22)21-27(24,25)15-2-3-16-13(11-15)6-9-26-16/h2-3,10-11,14,21H,4-9H2,1H3,(H,19,20,23).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 390.47 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 136962420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).