5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide

C14H19N3O3S — CID 106065482

IUPAC5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccncc2C)c(C)o1
InChIInChI=1S/C14H19N3O3S/c1-4-15-9-12-7-14(11(3)20-12)21(18,19)17-13-5-6-16-8-10(13)2/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyDNWGDYUAJBVUTC-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.20
Rot. Bonds6

About 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide (PubChem CID 106065482) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
PubChem CID106065482
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccncc2C)c(C)o1
InChIInChI=1S/C14H19N3O3S/c1-4-15-9-12-7-14(11(3)20-12)21(18,19)17-13-5-6-16-8-10(13)2/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyDNWGDYUAJBVUTC-UHFFFAOYSA-N
XLogP2.20
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-2-methyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106088026
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065515
5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 106090175
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 106594533

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide (CID 106065482) is 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccncc2C)c(C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
The InChIKey is DNWGDYUAJBVUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-15-9-12-7-14(11(3)20-12)21(18,19)17-13-5-6-16-8-10(13)2/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide is sourced from PubChem (CID 106065482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).