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

C24H29N3O6S — CID 160965327

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H23N3O6S.3H2/c28-13-12-25-34(30,31)18-7-4-16(5-8-18)19-2-1-3-22(26-19)27-23(29)24(10-11-24)17-6-9-20-21(14-17)33-15-32-20;;;/h1-9,14,25,28H,10-13,15H2,(H,26,27,29);3*1H
InChIKeySXNUPGNVUJQREV-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.16
Rot. Bonds8

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

1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160965327) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID160965327
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H23N3O6S.3H2/c28-13-12-25-34(30,31)18-7-4-16(5-8-18)19-2-1-3-22(26-19)27-23(29)24(10-11-24)17-6-9-20-21(14-17)33-15-32-20;;;/h1-9,14,25,28H,10-13,15H2,(H,26,27,29);3*1H
InChIKeySXNUPGNVUJQREV-UHFFFAOYSA-N
XLogP3.16
TPSA126.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-imidazol-1-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59165919
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 16679714
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-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678520
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159897918
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2R)-1-hydroxypentan-2-yl]sulfamoyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59344860
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161128644
(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-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159945345

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 160965327) is 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is SXNUPGNVUJQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S.3H2/c28-13-12-25-34(30,31)18-7-4-16(5-8-18)19-2-1-3-22(26-19)27-23(29)24(10-11-24)17-6-9-20-21(14-17)33-15-32-20;;;/h1-9,14,25,28H,10-13,15H2,(H,26,27,29);3*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 487.58 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160965327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).