N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine

C20H26FNO3S — CID 143053874

IUPACN-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine
SMILESCCCN(C)CCc1cc(S(=O)(=O)c2ccc(F)cc2)c(OC)cc1C
InChIInChI=1S/C20H26FNO3S/c1-5-11-22(3)12-10-16-14-20(19(25-4)13-15(16)2)26(23,24)18-8-6-17(21)7-9-18/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyHUPPDUVOJNNTGP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.86
Rot. Bonds8

About N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine

N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine (PubChem CID 143053874) has the molecular formula C20H26FNO3S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine
PubChem CID143053874
Molecular FormulaC20H26FNO3S
Molecular Weight379.50 g/mol
Exact Mass379.16
IUPAC NameN-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine
SMILESCCCN(C)CCc1cc(S(=O)(=O)c2ccc(F)cc2)c(OC)cc1C
InChIInChI=1S/C20H26FNO3S/c1-5-11-22(3)12-10-16-14-20(19(25-4)13-15(16)2)26(23,24)18-8-6-17(21)7-9-18/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyHUPPDUVOJNNTGP-UHFFFAOYSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine?
The IUPAC name of N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine (CID 143053874) is N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine is CCCN(C)CCc1cc(S(=O)(=O)c2ccc(F)cc2)c(OC)cc1C.
What is the InChIKey of N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine?
The InChIKey is HUPPDUVOJNNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3S/c1-5-11-22(3)12-10-16-14-20(19(25-4)13-15(16)2)26(23,24)18-8-6-17(21)7-9-18/h6-9,13-14H,5,10-12H2,1-4H3.
What are the key properties of N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine?
N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine has a molecular weight of 379.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-fluorophenyl)sulfonyl-4-methoxy-2-methylphenyl]ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 143053874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).