1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide

C28H23N3O4S — CID 127038730

IUPAC1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide
SMILESO=C(NCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C28H23N3O4S/c32-27(22-15-14-20-8-4-5-9-21(20)18-22)29-16-17-30-28(33)25-19-31(26-13-7-6-12-24(25)26)36(34,35)23-10-2-1-3-11-23/h1-15,18-19H,16-17H2,(H,29,32)(H,30,33)
InChIKeyABRKOZFHEAEXMY-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.19
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide

1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide (PubChem CID 127038730) has the molecular formula C28H23N3O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide
PubChem CID127038730
Molecular FormulaC28H23N3O4S
Molecular Weight497.58 g/mol
Exact Mass497.14
IUPAC Name1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide
SMILESO=C(NCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C28H23N3O4S/c32-27(22-15-14-20-8-4-5-9-21(20)18-22)29-16-17-30-28(33)25-19-31(26-13-7-6-12-24(25)26)36(34,35)23-10-2-1-3-11-23/h1-15,18-19H,16-17H2,(H,29,32)(H,30,33)
InChIKeyABRKOZFHEAEXMY-UHFFFAOYSA-N
XLogP4.19
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
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 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide (CID 127038730) is 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide is O=C(NCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide?
The InChIKey is ABRKOZFHEAEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4S/c32-27(22-15-14-20-8-4-5-9-21(20)18-22)29-16-17-30-28(33)25-19-31(26-13-7-6-12-24(25)26)36(34,35)23-10-2-1-3-11-23/h1-15,18-19H,16-17H2,(H,29,32)(H,30,33).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(naphthalene-2-carbonylamino)ethyl]indole-3-carboxamide is sourced from PubChem (CID 127038730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).