N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide

C19H20N4O4S — CID 70274887

IUPACN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide
SMILESCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)CCc3ccco3)cc2)n1
InChIInChI=1S/C19H20N4O4S/c1-28(25,26)12-15-11-17(20)23-19(22-15)13-4-6-14(7-5-13)21-18(24)9-8-16-3-2-10-27-16/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyKTZZEWJQLREHDM-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.43
Rot. Bonds7

About N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide

N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide (PubChem CID 70274887) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide
PubChem CID70274887
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide
SMILESCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)CCc3ccco3)cc2)n1
InChIInChI=1S/C19H20N4O4S/c1-28(25,26)12-15-11-17(20)23-19(22-15)13-4-6-14(7-5-13)21-18(24)9-8-16-3-2-10-27-16/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyKTZZEWJQLREHDM-UHFFFAOYSA-N
XLogP2.43
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-[[dihydroxy(methyl)-λ4-sulfanyl]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide
CID 59535912
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
CID 70274596
1-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)urea
CID 70306670
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
1-[4-[4-amino-6-(ethylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-propan-2-ylurea
CID 70271620
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
CID 107338969
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-2-pyrimidin-2-ylacetamide
CID 25168728
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide (CID 70274887) is N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide is CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)CCc3ccco3)cc2)n1.
What is the InChIKey of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is KTZZEWJQLREHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-28(25,26)12-15-11-17(20)23-19(22-15)13-4-6-14(7-5-13)21-18(24)9-8-16-3-2-10-27-16/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide?
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 400.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 70274887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).