N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide

C17H23N5O3S — CID 122354155

IUPACN-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1
InChIInChI=1S/C17H23N5O3S/c1-11-8-14(20-13(3)23)6-7-16(11)26(24,25)18-10-15-9-12(2)19-17(21-15)22(4)5/h6-9,18H,10H2,1-5H3,(H,20,23)
InChIKeyKRGQHWPUICIUQE-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.60
Rot. Bonds6

About N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide

N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide (PubChem CID 122354155) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
PubChem CID122354155
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1
InChIInChI=1S/C17H23N5O3S/c1-11-8-14(20-13(3)23)6-7-16(11)26(24,25)18-10-15-9-12(2)19-17(21-15)22(4)5/h6-9,18H,10H2,1-5H3,(H,20,23)
InChIKeyKRGQHWPUICIUQE-UHFFFAOYSA-N
XLogP1.60
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 91967648
N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122324763
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
CID 167829406
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-nitrobenzenesulfonamide
CID 122354206
N-[3-methyl-4-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethylsulfamoyl]phenyl]acetamide
CID 122294541
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
(E)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122354135

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide (CID 122354155) is N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is KRGQHWPUICIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-11-8-14(20-13(3)23)6-7-16(11)26(24,25)18-10-15-9-12(2)19-17(21-15)22(4)5/h6-9,18H,10H2,1-5H3,(H,20,23).
What are the key properties of N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 122354155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).