2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide

C18H23NO3S2 — CID 30944291

IUPAC2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C18H23NO3S2/c20-24(21,14-8-16-5-2-1-3-6-16)19-15-18(9-11-22-12-10-18)17-7-4-13-23-17/h1-7,13,19H,8-12,14-15H2
InChIKeyQOORAQYSKLDIPX-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.96
Rot. Bonds7

About 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide

2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide (PubChem CID 30944291) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide
PubChem CID30944291
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC Name2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C18H23NO3S2/c20-24(21,14-8-16-5-2-1-3-6-16)19-15-18(9-11-22-12-10-18)17-7-4-13-23-17/h1-7,13,19H,8-12,14-15H2
InChIKeyQOORAQYSKLDIPX-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide (CID 30944291) is 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide?
The InChIKey is QOORAQYSKLDIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c20-24(21,14-8-16-5-2-1-3-6-16)19-15-18(9-11-22-12-10-18)17-7-4-13-23-17/h1-7,13,19H,8-12,14-15H2.
What are the key properties of 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide?
2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 30944291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).