1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C24H27N3O5S — CID 159897918

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C24H23N3O5S.2H2/c1-33(29,30)25-14-16-5-7-17(8-6-16)19-3-2-4-22(26-19)27-23(28)24(11-12-24)18-9-10-20-21(13-18)32-15-31-20;;/h2-10,13,25H,11-12,14-15H2,1H3,(H,26,27,28);2*1H
InChIKeyNVOUHYFWDSCLCE-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.69
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159897918) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159897918
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C24H23N3O5S.2H2/c1-33(29,30)25-14-16-5-7-17(8-6-16)19-3-2-4-22(26-19)27-23(28)24(11-12-24)18-9-10-20-21(13-18)32-15-31-20;;/h2-10,13,25H,11-12,14-15H2,1H3,(H,26,27,28);2*1H
InChIKeyNVOUHYFWDSCLCE-UHFFFAOYSA-N
XLogP3.69
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159945345
1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159772286
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160965327
N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen
CID 157227838
1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159418903
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678520
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxybutylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166210
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2R)-1-hydroxypentan-2-yl]sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159504638
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 67120691
(2R)-N-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonyl-1-hydroxypentan-2-amine oxide
CID 163876937
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160647579
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157307326

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159897918) is 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is NVOUHYFWDSCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S.2H2/c1-33(29,30)25-14-16-5-7-17(8-6-16)19-3-2-4-22(26-19)27-23(28)24(11-12-24)18-9-10-20-21(13-18)32-15-31-20;;/h2-10,13,25H,11-12,14-15H2,1H3,(H,26,27,28);2*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 469.56 g/mol, XLogP of 3.69, 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-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159897918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).