5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide

C15H19NO3S2 — CID 90534466

IUPAC5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)Cc2ccccc2)s1
InChIInChI=1S/C15H19NO3S2/c1-2-14-8-9-15(20-14)21(18,19)16-11-13(17)10-12-6-4-3-5-7-12/h3-9,13,16-17H,2,10-11H2,1H3
InChIKeyXLXFVBKEBFNNFM-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.19
Rot. Bonds7

About 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide

5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide (PubChem CID 90534466) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
PubChem CID90534466
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)Cc2ccccc2)s1
InChIInChI=1S/C15H19NO3S2/c1-2-14-8-9-15(20-14)21(18,19)16-11-13(17)10-12-6-4-3-5-7-12/h3-9,13,16-17H,2,10-11H2,1H3
InChIKeyXLXFVBKEBFNNFM-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(3-ethyl-2-hydroxypentyl)thiophene-2-sulfonamide
CID 103835206
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-phenacylthiophene-2-sulfonamide
CID 64993884
5-ethyl-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 110664046
3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide (CID 90534466) is 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC(O)Cc2ccccc2)s1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The InChIKey is XLXFVBKEBFNNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-2-14-8-9-15(20-14)21(18,19)16-11-13(17)10-12-6-4-3-5-7-12/h3-9,13,16-17H,2,10-11H2,1H3.
What are the key properties of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 90534466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).