N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

C16H21NO3S2 — CID 97417513

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)s1
InChIInChI=1S/C16H21NO3S2/c1-12-5-4-6-14(9-12)11-22(18,19)17-10-15(20-3)16-8-7-13(2)21-16/h4-9,15,17H,10-11H2,1-3H3/t15-/m0/s1
InChIKeyJKDJCYHRCNEGTA-HNNXBMFYSA-N
MW339.48 g/mol
LogP3.17
Rot. Bonds7

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 97417513) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID97417513
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)s1
InChIInChI=1S/C16H21NO3S2/c1-12-5-4-6-14(9-12)11-22(18,19)17-10-15(20-3)16-8-7-13(2)21-16/h4-9,15,17H,10-11H2,1-3H3/t15-/m0/s1
InChIKeyJKDJCYHRCNEGTA-HNNXBMFYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (CID 97417513) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is CO[C@@H](CNS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is JKDJCYHRCNEGTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-12-5-4-6-14(9-12)11-22(18,19)17-10-15(20-3)16-8-7-13(2)21-16/h4-9,15,17H,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 97417513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).