2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide

C14H16N4O4S — CID 5007193

IUPAC2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide
SMILESCOc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H16N4O4S/c1-10-8-13(22-2)17-14(16-10)18(9-12(15)19)23(20,21)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,15,19)
InChIKeyYDNJTHKDDXJYDB-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.47
Rot. Bonds6

About 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide

2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide (PubChem CID 5007193) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide
PubChem CID5007193
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide
SMILESCOc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H16N4O4S/c1-10-8-13(22-2)17-14(16-10)18(9-12(15)19)23(20,21)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,15,19)
InChIKeyYDNJTHKDDXJYDB-UHFFFAOYSA-N
XLogP0.47
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(((4,6-Dimethoxy-2-pyrimidinyl)amino)sulfonyl)phenyl)acetamide
CID 168167
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N4-Acetylsulfadimethoxine
CID 473359
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
2-{4-[(4-Methoxyphenyl)sulfonyl]piperazin-1-yl}-4,6-dimethylpyrimidine
CID 5300804
2-[(5-Chloro-4-methoxy-6-methyl-2-pyrimidinyl)(phenylsulfonyl)amino]acetamide
CID 4121354
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
Methyl 2-[benzenesulfonyl-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
CID 3128119
2-chloro-N-(4-methoxy-6-methyl-2-pyrimidinyl)-N-methylbenzenesulfonamide
CID 658041
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
The IUPAC name of 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide (CID 5007193) is 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide is COc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
The InChIKey is YDNJTHKDDXJYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-10-8-13(22-2)17-14(16-10)18(9-12(15)19)23(20,21)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,15,19).
What are the key properties of 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide has a molecular weight of 336.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-(4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 5007193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).