N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

C14H17N3O4S — CID 154769759

IUPACN-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C14H17N3O4S/c1-11-3-2-4-12(9-11)10-22(20,21)15-6-8-17-7-5-13(18)16-14(17)19/h2-5,7,9,15H,6,8,10H2,1H3,(H,16,18,19)
InChIKeyQFSGLFNCARBUIN-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.04
Rot. Bonds6

About N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 154769759) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID154769759
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C14H17N3O4S/c1-11-3-2-4-12(9-11)10-22(20,21)15-6-8-17-7-5-13(18)16-14(17)19/h2-5,7,9,15H,6,8,10H2,1H3,(H,16,18,19)
InChIKeyQFSGLFNCARBUIN-UHFFFAOYSA-N
XLogP-0.04
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
1-(3-methylphenyl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122290006
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110729947
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326437
1-(3-methylphenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122328463
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (CID 154769759) is N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCCn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is QFSGLFNCARBUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-11-3-2-4-12(9-11)10-22(20,21)15-6-8-17-7-5-13(18)16-14(17)19/h2-5,7,9,15H,6,8,10H2,1H3,(H,16,18,19).
What are the key properties of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 323.37 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 154769759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).