NVAOOTORCOZXMO-UHFFFAOYSA-N

Name: NVAOOTORCOZXMO-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₂₈F₃NO₆S — CID 162621106

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]propanoic acid

SMILESCc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2OCc2ccc(CCC(=O)O)cc2)o1

InChIInChI=1S/C26H28F3NO6S/c1-17(2)15-30(37(33,34)25-13-4-18(3)36-25)22-11-10-21(26(27,28)29)14-23(22)35-16-20-7-5-19(6-8-20)9-12-24(31)32/h4-8,10-11,13-14,17H,9,12,15-16H2,1-3H3,(H,31,32)

InChIKeyNVAOOTORCOZXMO-UHFFFAOYSA-N

MW539.57 g/mol

LogP6.05

Rot. Bonds11

About NVAOOTORCOZXMO-UHFFFAOYSA-N

NVAOOTORCOZXMO-UHFFFAOYSA-N (PubChem CID 162621106) has the molecular formula C₂₆H₂₈F₃NO₆S and a molecular weight of 539.57 g/mol. Its IUPAC name is 3-[4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name	NVAOOTORCOZXMO-UHFFFAOYSA-N
PubChem CID	162621106
Molecular Formula	C₂₆H₂₈F₃NO₆S
Molecular Weight	539.57 g/mol
Exact Mass	539.16
IUPAC Name	3-[4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]propanoic acid
SMILES	Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2OCc2ccc(CCC(=O)O)cc2)o1
InChI	InChI=1S/C26H28F3NO6S/c1-17(2)15-30(37(33,34)25-13-4-18(3)36-25)22-11-10-21(26(27,28)29)14-23(22)35-16-20-7-5-19(6-8-20)9-12-24(31)32/h4-8,10-11,13-14,17H,9,12,15-16H2,1-3H3,(H,31,32)
InChIKey	NVAOOTORCOZXMO-UHFFFAOYSA-N
XLogP	6.05
TPSA	97.05 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.57
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of NVAOOTORCOZXMO-UHFFFAOYSA-N?

The IUPAC name of NVAOOTORCOZXMO-UHFFFAOYSA-N (CID 162621106) is 3-[4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]propanoic acid.

What is the SMILES notation for NVAOOTORCOZXMO-UHFFFAOYSA-N?

The canonical SMILES for NVAOOTORCOZXMO-UHFFFAOYSA-N is Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2OCc2ccc(CCC(=O)O)cc2)o1.

What is the InChIKey of NVAOOTORCOZXMO-UHFFFAOYSA-N?

The InChIKey is NVAOOTORCOZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3NO6S/c1-17(2)15-30(37(33,34)25-13-4-18(3)36-25)22-11-10-21(26(27,28)29)14-23(22)35-16-20-7-5-19(6-8-20)9-12-24(31)32/h4-8,10-11,13-14,17H,9,12,15-16H2,1-3H3,(H,31,32).

What are the key properties of NVAOOTORCOZXMO-UHFFFAOYSA-N?

NVAOOTORCOZXMO-UHFFFAOYSA-N has a molecular weight of 539.57 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for NVAOOTORCOZXMO-UHFFFAOYSA-N is sourced from PubChem (CID 162621106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 162621106 — identifiers, structure, computed properties (public domain)

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