N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide

C24H22N4O3S — CID 146571615

IUPACN-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3cccc(N)c32)cc1
InChIInChI=1S/C24H22N4O3S/c1-15-5-9-18(10-6-15)32(30,31)28-14-20(19-3-2-4-21(25)23(19)28)17-11-12-26-22(13-17)27-24(29)16-7-8-16/h2-6,9-14,16H,7-8,25H2,1H3,(H,26,27,29)
InChIKeyDDMXDHOKJNGULS-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.18
Rot. Bonds5

About N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 146571615) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID146571615
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3cccc(N)c32)cc1
InChIInChI=1S/C24H22N4O3S/c1-15-5-9-18(10-6-15)32(30,31)28-14-20(19-3-2-4-21(25)23(19)28)17-11-12-26-22(13-17)27-24(29)16-7-8-16/h2-6,9-14,16H,7-8,25H2,1H3,(H,26,27,29)
InChIKeyDDMXDHOKJNGULS-UHFFFAOYSA-N
XLogP4.18
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 146571615) is N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3cccc(N)c32)cc1.
What is the InChIKey of N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is DDMXDHOKJNGULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15-5-9-18(10-6-15)32(30,31)28-14-20(19-3-2-4-21(25)23(19)28)17-11-12-26-22(13-17)27-24(29)16-7-8-16/h2-6,9-14,16H,7-8,25H2,1H3,(H,26,27,29).
What are the key properties of N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 146571615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).