(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide

C15H17NO3S2 — CID 97044960

IUPAC(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)c1ccsc1
InChIInChI=1S/C15H17NO3S2/c1-11(12-8-9-20-10-12)15(17)16(2)13-6-4-5-7-14(13)21(3,18)19/h4-11H,1-3H3/t11-/m1/s1
InChIKeyUSLYZXGLXQNOOZ-LLVKDONJSA-N
MW323.44 g/mol
LogP2.92
Rot. Bonds4

About (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide

(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide (PubChem CID 97044960) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide
PubChem CID97044960
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)c1ccsc1
InChIInChI=1S/C15H17NO3S2/c1-11(12-8-9-20-10-12)15(17)16(2)13-6-4-5-7-14(13)21(3,18)19/h4-11H,1-3H3/t11-/m1/s1
InChIKeyUSLYZXGLXQNOOZ-LLVKDONJSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide?
The IUPAC name of (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide (CID 97044960) is (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide.
What is the SMILES notation for (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide?
The canonical SMILES for (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide is C[C@@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)c1ccsc1.
What is the InChIKey of (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide?
The InChIKey is USLYZXGLXQNOOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-11(12-8-9-20-10-12)15(17)16(2)13-6-4-5-7-14(13)21(3,18)19/h4-11H,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide?
(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide has a molecular weight of 323.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 97044960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).