N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide

C17H25N7O3S2 — CID 122254403

IUPACN-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)s1
InChIInChI=1S/C17H25N7O3S2/c1-12(25)18-10-13-6-7-15(28-13)29(26,27)19-11-14-20-16(23(2)3)22-17(21-14)24-8-4-5-9-24/h6-7,19H,4-5,8-11H2,1-3H3,(H,18,25)
InChIKeyGOMJHVNQTYKHJR-UHFFFAOYSA-N
MW439.57 g/mol
LogP0.71
Rot. Bonds8

About N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 122254403) has the molecular formula C17H25N7O3S2 and a molecular weight of 439.57 g/mol. Its IUPAC name is N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID122254403
Molecular FormulaC17H25N7O3S2
Molecular Weight439.57 g/mol
Exact Mass439.15
IUPAC NameN-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)s1
InChIInChI=1S/C17H25N7O3S2/c1-12(25)18-10-13-6-7-15(28-13)29(26,27)19-11-14-20-16(23(2)3)22-17(21-14)24-8-4-5-9-24/h6-7,19H,4-5,8-11H2,1-3H3,(H,18,25)
InChIKeyGOMJHVNQTYKHJR-UHFFFAOYSA-N
XLogP0.71
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122253924
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122254225
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 122254665
N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332954
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122254411
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 122254104
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-3-carboxamide
CID 122254265
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 122254285
N-[[5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122343962

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 122254403) is N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)s1.
What is the InChIKey of N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is GOMJHVNQTYKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3S2/c1-12(25)18-10-13-6-7-15(28-13)29(26,27)19-11-14-20-16(23(2)3)22-17(21-14)24-8-4-5-9-24/h6-7,19H,4-5,8-11H2,1-3H3,(H,18,25).
What are the key properties of N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 439.57 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122254403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).