N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide

C17H18N4O5S — CID 167749294

IUPACN-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1ccccc1C(CO)N(C)S(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C17H18N4O5S/c1-10-5-3-4-6-12(10)14(9-22)21(2)27(25,26)11-7-13-15(18-8-11)19-17(24)20-16(13)23/h3-8,14,22H,9H2,1-2H3,(H2,18,19,20,23,24)
InChIKeyZHGUOKAPYFZFCJ-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.27
Rot. Bonds5

About N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide

N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 167749294) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID167749294
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1ccccc1C(CO)N(C)S(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C17H18N4O5S/c1-10-5-3-4-6-12(10)14(9-22)21(2)27(25,26)11-7-13-15(18-8-11)19-17(24)20-16(13)23/h3-8,14,22H,9H2,1-2H3,(H2,18,19,20,23,24)
InChIKeyZHGUOKAPYFZFCJ-UHFFFAOYSA-N
XLogP0.27
TPSA136.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide (CID 167749294) is N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide is Cc1ccccc1C(CO)N(C)S(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is ZHGUOKAPYFZFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-10-5-3-4-6-12(10)14(9-22)21(2)27(25,26)11-7-13-15(18-8-11)19-17(24)20-16(13)23/h3-8,14,22H,9H2,1-2H3,(H2,18,19,20,23,24).
What are the key properties of N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 390.42 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(2-methylphenyl)ethyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 167749294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).