1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide

C24H25N3O4S — CID 50801746

IUPAC1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)o1
InChIInChI=1S/C24H25N3O4S/c1-17-9-10-20(31-17)15-25-24(28)23-14-19-13-21(32(29,30)26(2)3)11-12-22(19)27(23)16-18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,25,28)
InChIKeySBAWEEVBTPFZQL-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.77
Rot. Bonds7

About 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide

1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide (PubChem CID 50801746) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
PubChem CID50801746
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)o1
InChIInChI=1S/C24H25N3O4S/c1-17-9-10-20(31-17)15-25-24(28)23-14-19-13-21(32(29,30)26(2)3)11-12-22(19)27(23)16-18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,25,28)
InChIKeySBAWEEVBTPFZQL-UHFFFAOYSA-N
XLogP3.77
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 50802080
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
CID 50802053
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 50802064
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 46357271
5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide
CID 50802007
5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide
CID 93076590
1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132
3-benzyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 90933176

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide (CID 50801746) is 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide is Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)o1.
What is the InChIKey of 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide?
The InChIKey is SBAWEEVBTPFZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-17-9-10-20(31-17)15-25-24(28)23-14-19-13-21(32(29,30)26(2)3)11-12-22(19)27(23)16-18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,25,28).
What are the key properties of 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide?
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 50801746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).