2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide

C22H29N3O5S — CID 3206785

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H29N3O5S/c1-2-20(22(27)24-17-9-6-7-10-17)25(16-18-11-8-14-30-18)21(26)15-23-31(28,29)19-12-4-3-5-13-19/h3-5,8,11-14,17,20,23H,2,6-7,9-10,15-16H2,1H3,(H,24,27)
InChIKeyVEHZSISVGBEGBR-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.42
Rot. Bonds10

About 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide

2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide (PubChem CID 3206785) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide
PubChem CID3206785
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H29N3O5S/c1-2-20(22(27)24-17-9-6-7-10-17)25(16-18-11-8-14-30-18)21(26)15-23-31(28,29)19-12-4-3-5-13-19/h3-5,8,11-14,17,20,23H,2,6-7,9-10,15-16H2,1H3,(H,24,27)
InChIKeyVEHZSISVGBEGBR-UHFFFAOYSA-N
XLogP2.42
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide (CID 3206785) is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide?
The InChIKey is VEHZSISVGBEGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-2-20(22(27)24-17-9-6-7-10-17)25(16-18-11-8-14-30-18)21(26)15-23-31(28,29)19-12-4-3-5-13-19/h3-5,8,11-14,17,20,23H,2,6-7,9-10,15-16H2,1H3,(H,24,27).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide?
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide has a molecular weight of 447.56 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 3206785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).