N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide

C24H24F2N2O6S — CID 170347895

IUPACN-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide
SMILESCCOc1cc(NC(=O)c2ccc(OC)cc2)ccc1S(=O)(=O)Nc1cccc(OC(C)(F)F)c1
InChIInChI=1S/C24H24F2N2O6S/c1-4-33-21-15-17(27-23(29)16-8-11-19(32-3)12-9-16)10-13-22(21)35(30,31)28-18-6-5-7-20(14-18)34-24(2,25)26/h5-15,28H,4H2,1-3H3,(H,27,29)
InChIKeyPOYRMNVDNGXCKQ-UHFFFAOYSA-N
MW506.53 g/mol
LogP5.14
Rot. Bonds10

About N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide

N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide (PubChem CID 170347895) has the molecular formula C24H24F2N2O6S and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide
PubChem CID170347895
Molecular FormulaC24H24F2N2O6S
Molecular Weight506.53 g/mol
Exact Mass506.13
IUPAC NameN-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide
SMILESCCOc1cc(NC(=O)c2ccc(OC)cc2)ccc1S(=O)(=O)Nc1cccc(OC(C)(F)F)c1
InChIInChI=1S/C24H24F2N2O6S/c1-4-33-21-15-17(27-23(29)16-8-11-19(32-3)12-9-16)10-13-22(21)35(30,31)28-18-6-5-7-20(14-18)34-24(2,25)26/h5-15,28H,4H2,1-3H3,(H,27,29)
InChIKeyPOYRMNVDNGXCKQ-UHFFFAOYSA-N
XLogP5.14
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1-methoxypyridin-1-ium-3-carboxamide
CID 170347072
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031
2-ethoxy-4-(methylamino)-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 170347385
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 169307922
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
(2S)-2-cyclopentyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169307931
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
CID 169308046
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylpentanamide
CID 169307678
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-4-hydroxycyclohexane-1-carboxamide
CID 169308033

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide (CID 170347895) is N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide is CCOc1cc(NC(=O)c2ccc(OC)cc2)ccc1S(=O)(=O)Nc1cccc(OC(C)(F)F)c1.
What is the InChIKey of N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide?
The InChIKey is POYRMNVDNGXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O6S/c1-4-33-21-15-17(27-23(29)16-8-11-19(32-3)12-9-16)10-13-22(21)35(30,31)28-18-6-5-7-20(14-18)34-24(2,25)26/h5-15,28H,4H2,1-3H3,(H,27,29).
What are the key properties of N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide?
N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide has a molecular weight of 506.53 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide is sourced from PubChem (CID 170347895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).