N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide

C17H17N3O3S2 — CID 113027386

IUPACN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C17H17N3O3S2/c1-23-15-6-3-2-5-13(15)11-18-14-8-9-16(19-12-14)20-25(21,22)17-7-4-10-24-17/h2-10,12,18H,11H2,1H3,(H,19,20)
InChIKeyABKXYSAMMRUDAA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.56
Rot. Bonds7

About N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide

N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113027386) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113027386
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C17H17N3O3S2/c1-23-15-6-3-2-5-13(15)11-18-14-8-9-16(19-12-14)20-25(21,22)17-7-4-10-24-17/h2-10,12,18H,11H2,1H3,(H,19,20)
InChIKeyABKXYSAMMRUDAA-UHFFFAOYSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide (CID 113027386) is N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide is COc1ccccc1CNc1ccc(NS(=O)(=O)c2cccs2)nc1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is ABKXYSAMMRUDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-23-15-6-3-2-5-13(15)11-18-14-8-9-16(19-12-14)20-25(21,22)17-7-4-10-24-17/h2-10,12,18H,11H2,1H3,(H,19,20).
What are the key properties of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide?
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113027386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).