N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide

C15H19NO3S2 — CID 97428632

IUPACN-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide
SMILESCC[C@@](CNS(=O)(=O)c1cccs1)(OC)c1ccccc1
InChIInChI=1S/C15H19NO3S2/c1-3-15(19-2,13-8-5-4-6-9-13)12-16-21(17,18)14-10-7-11-20-14/h4-11,16H,3,12H2,1-2H3/t15-/m0/s1
InChIKeyZPOOZFLHZWAUNO-HNNXBMFYSA-N
MW325.45 g/mol
LogP2.98
Rot. Bonds7

About N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide

N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide (PubChem CID 97428632) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide
PubChem CID97428632
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC NameN-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide
SMILESCC[C@@](CNS(=O)(=O)c1cccs1)(OC)c1ccccc1
InChIInChI=1S/C15H19NO3S2/c1-3-15(19-2,13-8-5-4-6-9-13)12-16-21(17,18)14-10-7-11-20-14/h4-11,16H,3,12H2,1-2H3/t15-/m0/s1
InChIKeyZPOOZFLHZWAUNO-HNNXBMFYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide (CID 97428632) is N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide is CC[C@@](CNS(=O)(=O)c1cccs1)(OC)c1ccccc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide?
The InChIKey is ZPOOZFLHZWAUNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-3-15(19-2,13-8-5-4-6-9-13)12-16-21(17,18)14-10-7-11-20-14/h4-11,16H,3,12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide?
N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide has a molecular weight of 325.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-phenylbutyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97428632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).