N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide

C26H24F3N5O3S — CID 118366037

IUPACN-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide
SMILESCNC(=O)CCc1[nH]nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1-c1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C26H24F3N5O3S/c1-31-23(35)15-14-22-24(18-8-12-21(13-9-18)34-38(30,36)37)25(33-32-22)19-4-2-16(3-5-19)17-6-10-20(11-7-17)26(27,28)29/h2-13,34H,14-15H2,1H3,(H,31,35)(H,32,33)(H2,30,36,37)
InChIKeyNZGOZBFOKUVFTN-UHFFFAOYSA-N
MW543.57 g/mol
LogP4.72
Rot. Bonds8

About N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide

N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide (PubChem CID 118366037) has the molecular formula C26H24F3N5O3S and a molecular weight of 543.57 g/mol. Its IUPAC name is N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide
PubChem CID118366037
Molecular FormulaC26H24F3N5O3S
Molecular Weight543.57 g/mol
Exact Mass543.16
IUPAC NameN-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide
SMILESCNC(=O)CCc1[nH]nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1-c1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C26H24F3N5O3S/c1-31-23(35)15-14-22-24(18-8-12-21(13-9-18)34-38(30,36)37)25(33-32-22)19-4-2-16(3-5-19)17-6-10-20(11-7-17)26(27,28)29/h2-13,34H,14-15H2,1H3,(H,31,35)(H,32,33)(H2,30,36,37)
InChIKeyNZGOZBFOKUVFTN-UHFFFAOYSA-N
XLogP4.72
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.57
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide?
The IUPAC name of N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide (CID 118366037) is N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide.
What is the SMILES notation for N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide?
The canonical SMILES for N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide is CNC(=O)CCc1[nH]nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1-c1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide?
The InChIKey is NZGOZBFOKUVFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3S/c1-31-23(35)15-14-22-24(18-8-12-21(13-9-18)34-38(30,36)37)25(33-32-22)19-4-2-16(3-5-19)17-6-10-20(11-7-17)26(27,28)29/h2-13,34H,14-15H2,1H3,(H,31,35)(H,32,33)(H2,30,36,37).
What are the key properties of N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide?
N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide has a molecular weight of 543.57 g/mol, XLogP of 4.72, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide is sourced from PubChem (CID 118366037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).