N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide

C14H19NO4S2 — CID 121133162

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide
SMILESCc1cc(C(O)CCNS(=O)(=O)c2ccc(C)s2)c(C)o1
InChIInChI=1S/C14H19NO4S2/c1-9-8-12(11(3)19-9)13(16)6-7-15-21(17,18)14-5-4-10(2)20-14/h4-5,8,13,15-16H,6-7H2,1-3H3
InChIKeyZKPXDEYZXIPUOR-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.67
Rot. Bonds6

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide (PubChem CID 121133162) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide
PubChem CID121133162
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide
SMILESCc1cc(C(O)CCNS(=O)(=O)c2ccc(C)s2)c(C)o1
InChIInChI=1S/C14H19NO4S2/c1-9-8-12(11(3)19-9)13(16)6-7-15-21(17,18)14-5-4-10(2)20-14/h4-5,8,13,15-16H,6-7H2,1-3H3
InChIKeyZKPXDEYZXIPUOR-UHFFFAOYSA-N
XLogP2.67
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71804584
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-nitrobenzenesulfonamide
CID 121133188
N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide
CID 71804583
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide (CID 121133162) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide is Cc1cc(C(O)CCNS(=O)(=O)c2ccc(C)s2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is ZKPXDEYZXIPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-9-8-12(11(3)19-9)13(16)6-7-15-21(17,18)14-5-4-10(2)20-14/h4-5,8,13,15-16H,6-7H2,1-3H3.
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 329.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 121133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).