N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide

C19H26N2O4S — CID 124782063

IUPACN-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@H]12
InChIInChI=1S/C19H26N2O4S/c1-26(23,24)20-9-16-12-25-18-11-21(10-17(16)18)19(22)8-13-6-14-4-2-3-5-15(14)7-13/h2-5,13,16-18,20H,6-12H2,1H3/t16-,17-,18-/m1/s1
InChIKeyDFQJTVUVPHKTQW-KZNAEPCWSA-N
MW378.49 g/mol
LogP0.81
Rot. Bonds5

About N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide

N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide (PubChem CID 124782063) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
PubChem CID124782063
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@H]12
InChIInChI=1S/C19H26N2O4S/c1-26(23,24)20-9-16-12-25-18-11-21(10-17(16)18)19(22)8-13-6-14-4-2-3-5-15(14)7-13/h2-5,13,16-18,20H,6-12H2,1H3/t16-,17-,18-/m1/s1
InChIKeyDFQJTVUVPHKTQW-KZNAEPCWSA-N
XLogP0.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(3R,3aS,6aS)-5-(pyridine-2-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155845110
N-[[(3S,3aR,6aR)-5-(2-methoxypyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124795081
N-[[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124783026
N-[[(3S,3aR,6aR)-5-(2-ethyl-5-methylpyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124790047
N-[[(3R,3aS,6aS)-5-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124782527
N-[[(3S,3aS,6aS)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155849434
N-[[(3R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124815695
N-[[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155853502
N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124782904
1-[(3R,3aR,6aR)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-ethoxyethanone
CID 124826145
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 124847487
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide (CID 124782063) is N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@H]12.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The InChIKey is DFQJTVUVPHKTQW-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-26(23,24)20-9-16-12-25-18-11-21(10-17(16)18)19(22)8-13-6-14-4-2-3-5-15(14)7-13/h2-5,13,16-18,20H,6-12H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124782063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).