1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C25H23F3N2O6S — CID 160712743

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[H][H]
InChIInChI=1S/C25H21F3N2O6S.H2/c1-29-37(32,33)18-6-2-15(3-7-18)16-4-8-20(36-25(26,27)28)19(12-16)30-23(31)24(10-11-24)17-5-9-21-22(13-17)35-14-34-21;/h2-9,12-13,29H,10-11,14H2,1H3,(H,30,31);1H
InChIKeyRSBOROGITXKCJO-UHFFFAOYSA-N
MW536.53 g/mol
LogP4.81
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160712743) has the molecular formula C25H23F3N2O6S and a molecular weight of 536.53 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID160712743
Molecular FormulaC25H23F3N2O6S
Molecular Weight536.53 g/mol
Exact Mass536.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[H][H]
InChIInChI=1S/C25H21F3N2O6S.H2/c1-29-37(32,33)18-6-2-15(3-7-18)16-4-8-20(36-25(26,27)28)19(12-16)30-23(31)24(10-11-24)17-5-9-21-22(13-17)35-14-34-21;/h2-9,12-13,29H,10-11,14H2,1H3,(H,30,31);1H
InChIKeyRSBOROGITXKCJO-UHFFFAOYSA-N
XLogP4.81
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206887
CID 59206942
CID 59206942
1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206982
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(methylsulfamoyl)-3-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59207022
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161083275
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethoxy)phenyl]-N,N-dimethylbenzamide
CID 59206348
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158438443
1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158134694
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-3-(trifluoromethoxy)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59207013
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272515

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 160712743) is 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is RSBOROGITXKCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O6S.H2/c1-29-37(32,33)18-6-2-15(3-7-18)16-4-8-20(36-25(26,27)28)19(12-16)30-23(31)24(10-11-24)17-5-9-21-22(13-17)35-14-34-21;/h2-9,12-13,29H,10-11,14H2,1H3,(H,30,31);1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 536.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160712743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).