N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C13H17N3O5S — CID 7354301

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H](C)CCc1ccco1
InChIInChI=1S/C13H17N3O5S/c1-8(5-6-10-4-3-7-21-10)16-22(19,20)11-9(2)14-13(18)15-12(11)17/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15,17,18)/t8-/m1/s1
InChIKeyOWGGKTDEQILUTM-MRVPVSSYSA-N
MW327.36 g/mol
LogP0.26
Rot. Bonds6

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7354301) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7354301
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H](C)CCc1ccco1
InChIInChI=1S/C13H17N3O5S/c1-8(5-6-10-4-3-7-21-10)16-22(19,20)11-9(2)14-13(18)15-12(11)17/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15,17,18)/t8-/m1/s1
InChIKeyOWGGKTDEQILUTM-MRVPVSSYSA-N
XLogP0.26
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
CID 61251576
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8801198
N-[4-(furan-2-yl)butan-2-yl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301188
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54913578
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7354301) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H](C)CCc1ccco1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is OWGGKTDEQILUTM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-8(5-6-10-4-3-7-21-10)16-22(19,20)11-9(2)14-13(18)15-12(11)17/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15,17,18)/t8-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 327.36 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).