N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide

C18H23N3O4S — CID 146575864

IUPACN-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(OC(C)C)c(-c2cc(NC)c(=O)n(C)c2)c1
InChIInChI=1S/C18H23N3O4S/c1-6-26(23,24)20-14-7-8-17(25-12(2)3)15(10-14)13-9-16(19-4)18(22)21(5)11-13/h6-12,19-20H,1H2,2-5H3
InChIKeySPZRWHIJOXDISL-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.77
Rot. Bonds7

About N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide

N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide (PubChem CID 146575864) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
PubChem CID146575864
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(OC(C)C)c(-c2cc(NC)c(=O)n(C)c2)c1
InChIInChI=1S/C18H23N3O4S/c1-6-26(23,24)20-14-7-8-17(25-12(2)3)15(10-14)13-9-16(19-4)18(22)21(5)11-13/h6-12,19-20H,1H2,2-5H3
InChIKeySPZRWHIJOXDISL-UHFFFAOYSA-N
XLogP2.77
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide?
The IUPAC name of N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide (CID 146575864) is N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide?
The canonical SMILES for N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(OC(C)C)c(-c2cc(NC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide?
The InChIKey is SPZRWHIJOXDISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-6-26(23,24)20-14-7-8-17(25-12(2)3)15(10-14)13-9-16(19-4)18(22)21(5)11-13/h6-12,19-20H,1H2,2-5H3.
What are the key properties of N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide?
N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide is sourced from PubChem (CID 146575864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).