N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

C19H27N3O4S — CID 20945518

IUPACN-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N(C)Cc2ccco2)c(C)n1C
InChIInChI=1S/C19H27N3O4S/c1-14-17(19(23)22-10-6-5-7-11-22)18(15(2)21(14)4)27(24,25)20(3)13-16-9-8-12-26-16/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyADPUBSNZCOZBMY-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.68
Rot. Bonds5

About N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945518) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945518
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N(C)Cc2ccco2)c(C)n1C
InChIInChI=1S/C19H27N3O4S/c1-14-17(19(23)22-10-6-5-7-11-22)18(15(2)21(14)4)27(24,25)20(3)13-16-9-8-12-26-16/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyADPUBSNZCOZBMY-UHFFFAOYSA-N
XLogP2.68
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 50792013
4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428830
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
N-(furan-2-ylmethyl)-N-methyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944963
N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 110892021
4-(azepane-1-carbonyl)-N-[(2R)-butan-2-yl]-1,2,5-trimethylpyrrole-3-sulfonamide
CID 92715746
N-(3-ethylphenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945473
N-(1,3-benzodioxol-5-yl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945470
N-[4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339466
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062923

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20945518) is N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N(C)Cc2ccco2)c(C)n1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is ADPUBSNZCOZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-17(19(23)22-10-6-5-7-11-22)18(15(2)21(14)4)27(24,25)20(3)13-16-9-8-12-26-16/h8-9,12H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).