N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide

C20H20N8O5S — CID 137243543

IUPACN-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)nc2c(=O)[nH]1
InChIInChI=1S/C20H20N8O5S/c1-10-11(2)27-33-19(10)28-34(31,32)15-6-4-13(5-7-15)21-8-14-9-22-17-16(24-14)18(30)26-20(25-17)23-12(3)29/h4-7,9,21,28H,8H2,1-3H3,(H2,22,23,25,26,29,30)
InChIKeyYMFONQKVEAEEKE-UHFFFAOYSA-N
MW484.50 g/mol
LogP1.69
Rot. Bonds7

About N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide

N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide (PubChem CID 137243543) has the molecular formula C20H20N8O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide
PubChem CID137243543
Molecular FormulaC20H20N8O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC NameN-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)nc2c(=O)[nH]1
InChIInChI=1S/C20H20N8O5S/c1-10-11(2)27-33-19(10)28-34(31,32)15-6-4-13(5-7-15)21-8-14-9-22-17-16(24-14)18(30)26-20(25-17)23-12(3)29/h4-7,9,21,28H,8H2,1-3H3,(H2,22,23,25,26,29,30)
InChIKeyYMFONQKVEAEEKE-UHFFFAOYSA-N
XLogP1.69
TPSA184.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide?
The IUPAC name of N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide (CID 137243543) is N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide?
The canonical SMILES for N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide is CC(=O)Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)nc2c(=O)[nH]1.
What is the InChIKey of N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide?
The InChIKey is YMFONQKVEAEEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O5S/c1-10-11(2)27-33-19(10)28-34(31,32)15-6-4-13(5-7-15)21-8-14-9-22-17-16(24-14)18(30)26-20(25-17)23-12(3)29/h4-7,9,21,28H,8H2,1-3H3,(H2,22,23,25,26,29,30).
What are the key properties of N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide?
N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide has a molecular weight of 484.50 g/mol, XLogP of 1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide is sourced from PubChem (CID 137243543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).