N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide

C17H25NO3S2 — CID 66907367

IUPACN-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CCOC(C)(C)C)c1sc2ccccc2c1C
InChIInChI=1S/C17H25NO3S2/c1-6-23(19,20)18(11-12-21-17(3,4)5)16-13(2)14-9-7-8-10-15(14)22-16/h7-10H,6,11-12H2,1-5H3
InChIKeyUXMYDPWTHOGIBZ-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.18
Rot. Bonds6

About N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide

N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide (PubChem CID 66907367) has the molecular formula C17H25NO3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide
PubChem CID66907367
Molecular FormulaC17H25NO3S2
Molecular Weight355.53 g/mol
Exact Mass355.13
IUPAC NameN-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CCOC(C)(C)C)c1sc2ccccc2c1C
InChIInChI=1S/C17H25NO3S2/c1-6-23(19,20)18(11-12-21-17(3,4)5)16-13(2)14-9-7-8-10-15(14)22-16/h7-10H,6,11-12H2,1-5H3
InChIKeyUXMYDPWTHOGIBZ-UHFFFAOYSA-N
XLogP4.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide?
The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide (CID 66907367) is N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide.
What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide?
The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide is CCS(=O)(=O)N(CCOC(C)(C)C)c1sc2ccccc2c1C.
What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide?
The InChIKey is UXMYDPWTHOGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S2/c1-6-23(19,20)18(11-12-21-17(3,4)5)16-13(2)14-9-7-8-10-15(14)22-16/h7-10H,6,11-12H2,1-5H3.
What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide?
N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide has a molecular weight of 355.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzothiophen-2-yl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanesulfonamide is sourced from PubChem (CID 66907367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).