3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

C20H27NO4S — CID 91790801

IUPAC3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C20H27NO4S/c22-17(11-13-26(23,24)15-8-2-1-3-9-15)21-19-16-10-12-25-20(16)18(19)14-6-4-5-7-14/h1-3,8-9,14,16,18-20H,4-7,10-13H2,(H,21,22)/t16-,18+,19-,20-/m0/s1
InChIKeyMPDPICISURZQAJ-RNQOJCNYSA-N
MW377.51 g/mol
LogP2.56
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (PubChem CID 91790801) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
PubChem CID91790801
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C20H27NO4S/c22-17(11-13-26(23,24)15-8-2-1-3-9-15)21-19-16-10-12-25-20(16)18(19)14-6-4-5-7-14/h1-3,8-9,14,16,18-20H,4-7,10-13H2,(H,21,22)/t16-,18+,19-,20-/m0/s1
InChIKeyMPDPICISURZQAJ-RNQOJCNYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (CID 91790801) is 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The InChIKey is MPDPICISURZQAJ-RNQOJCNYSA-N. The full InChI is InChI=1S/C20H27NO4S/c22-17(11-13-26(23,24)15-8-2-1-3-9-15)21-19-16-10-12-25-20(16)18(19)14-6-4-5-7-14/h1-3,8-9,14,16,18-20H,4-7,10-13H2,(H,21,22)/t16-,18+,19-,20-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide has a molecular weight of 377.51 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is sourced from PubChem (CID 91790801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).