N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C22H31N3O5S — CID 50792013

IUPACN-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)c(C)n1C
InChIInChI=1S/C22H31N3O5S/c1-16-20(22(26)24-10-4-5-11-24)21(17(2)23(16)3)31(27,28)25(14-18-8-6-12-29-18)15-19-9-7-13-30-19/h6,8,12,19H,4-5,7,9-11,13-15H2,1-3H3
InChIKeyZVTARTIOEDDFNE-UHFFFAOYSA-N
MW449.57 g/mol
LogP2.84
Rot. Bonds7

About N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 50792013) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID50792013
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC NameN-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)c(C)n1C
InChIInChI=1S/C22H31N3O5S/c1-16-20(22(26)24-10-4-5-11-24)21(17(2)23(16)3)31(27,28)25(14-18-8-6-12-29-18)15-19-9-7-13-30-19/h6,8,12,19H,4-5,7,9-11,13-15H2,1-3H3
InChIKeyZVTARTIOEDDFNE-UHFFFAOYSA-N
XLogP2.84
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945518
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3192388
4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 5224121
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 6618527
3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
CID 94069364
N-benzyl-2-[ethylsulfonyl(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174401
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
4-chloro-N-(furan-2-ylmethyl)-3-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42664623
1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 50792013) is N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)c(C)n1C.
What is the InChIKey of N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is ZVTARTIOEDDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-16-20(22(26)24-10-4-5-11-24)21(17(2)23(16)3)31(27,28)25(14-18-8-6-12-29-18)15-19-9-7-13-30-19/h6,8,12,19H,4-5,7,9-11,13-15H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 449.57 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).