1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide

C30H27N3O4S — CID 127038758

IUPAC1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C30H27N3O4S/c34-29(24-17-16-22-10-4-5-11-23(22)20-24)31-18-8-9-19-32-30(35)27-21-33(28-15-7-6-14-26(27)28)38(36,37)25-12-2-1-3-13-25/h1-7,10-17,20-21H,8-9,18-19H2,(H,31,34)(H,32,35)
InChIKeyUTNLNTFUKPHEGO-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.97
Rot. Bonds9

About 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide

1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide (PubChem CID 127038758) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide
PubChem CID127038758
Molecular FormulaC30H27N3O4S
Molecular Weight525.63 g/mol
Exact Mass525.17
IUPAC Name1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C30H27N3O4S/c34-29(24-17-16-22-10-4-5-11-23(22)20-24)31-18-8-9-19-32-30(35)27-21-33(28-15-7-6-14-26(27)28)38(36,37)25-12-2-1-3-13-25/h1-7,10-17,20-21H,8-9,18-19H2,(H,31,34)(H,32,35)
InChIKeyUTNLNTFUKPHEGO-UHFFFAOYSA-N
XLogP4.97
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.97
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-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide (CID 127038758) is 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide is O=C(NCCCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide?
The InChIKey is UTNLNTFUKPHEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S/c34-29(24-17-16-22-10-4-5-11-23(22)20-24)31-18-8-9-19-32-30(35)27-21-33(28-15-7-6-14-26(27)28)38(36,37)25-12-2-1-3-13-25/h1-7,10-17,20-21H,8-9,18-19H2,(H,31,34)(H,32,35).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide?
1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(naphthalene-2-carbonylamino)butyl]indole-3-carboxamide is sourced from PubChem (CID 127038758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).