1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide

C28H24N2O3S — CID 71075876

IUPAC1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(ccn2S(=O)(=O)c2cccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31)
InChIKeySEVOIRSEDVSYGP-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.91
Rot. Bonds6

About 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide

1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide (PubChem CID 71075876) has the molecular formula C28H24N2O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide
PubChem CID71075876
Molecular FormulaC28H24N2O3S
Molecular Weight468.58 g/mol
Exact Mass468.15
IUPAC Name1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(ccn2S(=O)(=O)c2cccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31)
InChIKeySEVOIRSEDVSYGP-UHFFFAOYSA-N
XLogP5.91
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075681
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 51049643
1-(4-methylphenyl)sulfonyl-N-(1-phenylpropyl)benzimidazole-5-carboxamide
CID 71712096
tert-butyl 3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoate
CID 71074414
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide
CID 72954375
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide (CID 71075876) is 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide is CCC(NC(=O)c1ccc2c(ccn2S(=O)(=O)c2cccc3ccccc23)c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide?
The InChIKey is SEVOIRSEDVSYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31).
What are the key properties of 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide?
1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide is sourced from PubChem (CID 71075876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).