N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

C18H19N3O3S2 — CID 53135094

IUPACN-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-3-13-4-6-14(7-5-13)11-19-26(23,24)18-10-15(12-25-18)16-8-9-17(22)21(2)20-16/h4-10,12,19H,3,11H2,1-2H3
InChIKeyLAGJTKFHKBYMOK-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53135094) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53135094
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-3-13-4-6-14(7-5-13)11-19-26(23,24)18-10-15(12-25-18)16-8-9-17(22)21(2)20-16/h4-10,12,19H,3,11H2,1-2H3
InChIKeyLAGJTKFHKBYMOK-UHFFFAOYSA-N
XLogP2.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (CID 53135094) is N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is LAGJTKFHKBYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-3-13-4-6-14(7-5-13)11-19-26(23,24)18-10-15(12-25-18)16-8-9-17(22)21(2)20-16/h4-10,12,19H,3,11H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53135094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).