N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C22H24N4O3S — CID 5051090

IUPACN-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C22H24N4O3S/c1-17-14-18-6-2-3-9-21(18)26(17)30(28,29)20-8-4-7-19(15-20)22(27)24-10-5-12-25-13-11-23-16-25/h2-4,6-9,11,13,15-17H,5,10,12,14H2,1H3,(H,24,27)
InChIKeyFCPJNMAAVOFQGS-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.84
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 5051090) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
PubChem CID5051090
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C22H24N4O3S/c1-17-14-18-6-2-3-9-21(18)26(17)30(28,29)20-8-4-7-19(15-20)22(27)24-10-5-12-25-13-11-23-16-25/h2-4,6-9,11,13,15-17H,5,10,12,14H2,1H3,(H,24,27)
InChIKeyFCPJNMAAVOFQGS-UHFFFAOYSA-N
XLogP2.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 5051090) is N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The InChIKey is FCPJNMAAVOFQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-17-14-18-6-2-3-9-21(18)26(17)30(28,29)20-8-4-7-19(15-20)22(27)24-10-5-12-25-13-11-23-16-25/h2-4,6-9,11,13,15-17H,5,10,12,14H2,1H3,(H,24,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 5051090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).