N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide

C20H23N3O4S — CID 22579710

IUPACN-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccco2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C20H23N3O4S/c1-22-18-8-7-17(28(25,26)23-9-3-2-4-10-23)12-15(18)13-19(22)20(24)21-14-16-6-5-11-27-16/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,21,24)
InChIKeyZRWXGYMJAVSCBI-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.88
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide

N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide (PubChem CID 22579710) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
PubChem CID22579710
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccco2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C20H23N3O4S/c1-22-18-8-7-17(28(25,26)23-9-3-2-4-10-23)12-15(18)13-19(22)20(24)21-14-16-6-5-11-27-16/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,21,24)
InChIKeyZRWXGYMJAVSCBI-UHFFFAOYSA-N
XLogP2.88
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
CID 22579716
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
N-(furan-2-ylmethyl)-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106120
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
CID 110850455
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-(furan-2-ylmethyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769372
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
CID 22579699

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide (CID 22579710) is N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide is Cn1c(C(=O)NCc2ccco2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide?
The InChIKey is ZRWXGYMJAVSCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-22-18-8-7-17(28(25,26)23-9-3-2-4-10-23)12-15(18)13-19(22)20(24)21-14-16-6-5-11-27-16/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide is sourced from PubChem (CID 22579710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).