4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide

C28H25N3O4S — CID 24599838

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C28H25N3O4S/c32-28(21-12-14-23(15-13-21)36(33,34)31-17-22-9-6-16-35-22)30-18-25(20-7-2-1-3-8-20)26-19-29-27-11-5-4-10-24(26)27/h1-16,19,25,29,31H,17-18H2,(H,30,32)
InChIKeyDVNNPBARRRWCRM-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.80
Rot. Bonds9

About 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide (PubChem CID 24599838) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
PubChem CID24599838
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C28H25N3O4S/c32-28(21-12-14-23(15-13-21)36(33,34)31-17-22-9-6-16-35-22)30-18-25(20-7-2-1-3-8-20)26-19-29-27-11-5-4-10-24(26)27/h1-16,19,25,29,31H,17-18H2,(H,30,32)
InChIKeyDVNNPBARRRWCRM-UHFFFAOYSA-N
XLogP4.80
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2112676
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55824718
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55699972

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide (CID 24599838) is 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide is O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The InChIKey is DVNNPBARRRWCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c32-28(21-12-14-23(15-13-21)36(33,34)31-17-22-9-6-16-35-22)30-18-25(20-7-2-1-3-8-20)26-19-29-27-11-5-4-10-24(26)27/h1-16,19,25,29,31H,17-18H2,(H,30,32).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide has a molecular weight of 499.59 g/mol, XLogP of 4.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 24599838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).