N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C19H16N2O5S — CID 23760849

IUPACN-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1
InChIInChI=1S/C19H16N2O5S/c1-11-2-5-13(6-3-11)27(25,26)19(8-9-19)18(24)20-12-4-7-14-15(10-12)17(23)21-16(14)22/h2-7,10H,8-9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyIPFHSGCGJQHTPB-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.82
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 23760849) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID23760849
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1
InChIInChI=1S/C19H16N2O5S/c1-11-2-5-13(6-3-11)27(25,26)19(8-9-19)18(24)20-12-4-7-14-15(10-12)17(23)21-16(14)22/h2-7,10H,8-9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyIPFHSGCGJQHTPB-UHFFFAOYSA-N
XLogP1.82
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 3434566
1-[(1,3-dioxoisoindol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096392
(2S)-N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894563
N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16880187
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
1-(4-methylphenyl)sulfonyl-N-(5-nitro-2-pyridinyl)cyclopropane-1-carboxamide
CID 4640475
N-(1,3-dioxoisoindol-5-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993145
1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 51096728
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 23760849) is N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is IPFHSGCGJQHTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-11-2-5-13(6-3-11)27(25,26)19(8-9-19)18(24)20-12-4-7-14-15(10-12)17(23)21-16(14)22/h2-7,10H,8-9H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 23760849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).