3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide

C19H19NO4S — CID 9366803

IUPAC3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H19NO4S/c1-14(18-13-15-7-5-6-10-17(15)24-18)20-19(21)11-12-25(22,23)16-8-3-2-4-9-16/h2-10,13-14H,11-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyRLSXSTUYQFFFIK-CQSZACIVSA-N
MW357.43 g/mol
LogP3.47
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide

3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 9366803) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
PubChem CID9366803
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H19NO4S/c1-14(18-13-15-7-5-6-10-17(15)24-18)20-19(21)11-12-25(22,23)16-8-3-2-4-9-16/h2-10,13-14H,11-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyRLSXSTUYQFFFIK-CQSZACIVSA-N
XLogP3.47
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 9366357
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide (CID 9366803) is 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide is C[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is RLSXSTUYQFFFIK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-14(18-13-15-7-5-6-10-17(15)24-18)20-19(21)11-12-25(22,23)16-8-3-2-4-9-16/h2-10,13-14H,11-12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 9366803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).