3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

C20H21F3N2O5S — CID 55619767

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H21F3N2O5S/c1-12(13-3-8-16(9-4-13)30-20(21,22)23)24-19(26)14-5-10-17(29-2)18(11-14)31(27,28)25-15-6-7-15/h3-5,8-12,15,25H,6-7H2,1-2H3,(H,24,26)
InChIKeyCDSDYNLCJNZVJD-UHFFFAOYSA-N
MW458.46 g/mol
LogP3.53
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 55619767) has the molecular formula C20H21F3N2O5S and a molecular weight of 458.46 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID55619767
Molecular FormulaC20H21F3N2O5S
Molecular Weight458.46 g/mol
Exact Mass458.11
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H21F3N2O5S/c1-12(13-3-8-16(9-4-13)30-20(21,22)23)24-19(26)14-5-10-17(29-2)18(11-14)31(27,28)25-15-6-7-15/h3-5,8-12,15,25H,6-7H2,1-2H3,(H,24,26)
InChIKeyCDSDYNLCJNZVJD-UHFFFAOYSA-N
XLogP3.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27739768
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991178
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 55619767) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is CDSDYNLCJNZVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O5S/c1-12(13-3-8-16(9-4-13)30-20(21,22)23)24-19(26)14-5-10-17(29-2)18(11-14)31(27,28)25-15-6-7-15/h3-5,8-12,15,25H,6-7H2,1-2H3,(H,24,26).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 458.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55619767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).