N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide

C15H19NO3S2 — CID 62114423

IUPACN-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CCO)Cc2ccccc2)c(C)s1
InChIInChI=1S/C15H19NO3S2/c1-12-10-15(13(2)20-12)21(18,19)16(8-9-17)11-14-6-4-3-5-7-14/h3-7,10,17H,8-9,11H2,1-2H3
InChIKeyBOBGBAHTMLWGBP-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.55
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide

N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 62114423) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID62114423
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CCO)Cc2ccccc2)c(C)s1
InChIInChI=1S/C15H19NO3S2/c1-12-10-15(13(2)20-12)21(18,19)16(8-9-17)11-14-6-4-3-5-7-14/h3-7,10,17H,8-9,11H2,1-2H3
InChIKeyBOBGBAHTMLWGBP-UHFFFAOYSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide (CID 62114423) is N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(CCO)Cc2ccccc2)c(C)s1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is BOBGBAHTMLWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-12-10-15(13(2)20-12)21(18,19)16(8-9-17)11-14-6-4-3-5-7-14/h3-7,10,17H,8-9,11H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide?
N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 325.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 62114423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).