1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C25H25N3O3S — CID 161492116

IUPAC1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5[nH]ccc5c4)CC3)c2)cc1.[H][H]
InChIInChI=1S/C25H23N3O3S.H2/c1-26-32(30,31)22-8-5-17(6-9-22)18-3-2-4-21(16-18)28-24(29)25(12-13-25)20-7-10-23-19(15-20)11-14-27-23;/h2-11,14-16,26-27H,12-13H2,1H3,(H,28,29);1H
InChIKeyWFTAKDPCQNXWOH-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.66
Rot. Bonds6

About 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 161492116) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID161492116
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5[nH]ccc5c4)CC3)c2)cc1.[H][H]
InChIInChI=1S/C25H23N3O3S.H2/c1-26-32(30,31)22-8-5-17(6-9-22)18-3-2-4-21(16-18)28-24(29)25(12-13-25)20-7-10-23-19(15-20)11-14-27-23;/h2-11,14-16,26-27H,12-13H2,1H3,(H,28,29);1H
InChIKeyWFTAKDPCQNXWOH-UHFFFAOYSA-N
XLogP4.66
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
CID 157089921
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-[3-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159954531
1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 123439592
N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
CID 56763708
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206227
1-(3,4-dimethoxyphenyl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161491383
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206887
1-(1,3-benzodioxol-5-yl)-N-[3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206705
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
CID 159191136
1-(4-hydroxy-3-methoxyphenyl)-N-[3-(4-sulfanylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59664464
1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160712743

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 161492116) is 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5[nH]ccc5c4)CC3)c2)cc1.[H][H].
What is the InChIKey of 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is WFTAKDPCQNXWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S.H2/c1-26-32(30,31)22-8-5-17(6-9-22)18-3-2-4-21(16-18)28-24(29)25(12-13-25)20-7-10-23-19(15-20)11-14-27-23;/h2-11,14-16,26-27H,12-13H2,1H3,(H,28,29);1H.
What are the key properties of 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 447.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 161492116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).