N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide

C14H17NO3S2 — CID 3704449

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H17NO3S2/c1-11(14(16)12-7-4-3-5-8-12)15(2)20(17,18)13-9-6-10-19-13/h3-11,14,16H,1-2H3
InChIKeyAOUHEPNDKSJKCS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.49
Rot. Bonds5

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 3704449) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide
PubChem CID3704449
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H17NO3S2/c1-11(14(16)12-7-4-3-5-8-12)15(2)20(17,18)13-9-6-10-19-13/h3-11,14,16H,1-2H3
InChIKeyAOUHEPNDKSJKCS-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide (CID 3704449) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide is CC(C(O)c1ccccc1)N(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is AOUHEPNDKSJKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-11(14(16)12-7-4-3-5-8-12)15(2)20(17,18)13-9-6-10-19-13/h3-11,14,16H,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 3704449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).