3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide

C19H20N2O4S — CID 9367334

IUPAC3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O4S/c1-14(18-13-15-7-5-6-10-17(15)25-18)21-19(22)11-12-20-26(23,24)16-8-3-2-4-9-16/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyZHXHKVIWQSHILT-AWEZNQCLSA-N
MW372.45 g/mol
LogP2.98
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide

3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 9367334) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
PubChem CID9367334
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O4S/c1-14(18-13-15-7-5-6-10-17(15)25-18)21-19(22)11-12-20-26(23,24)16-8-3-2-4-9-16/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyZHXHKVIWQSHILT-AWEZNQCLSA-N
XLogP2.98
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 9366357
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-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9367877
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide (CID 9367334) is 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide is C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is ZHXHKVIWQSHILT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14(18-13-15-7-5-6-10-17(15)25-18)21-19(22)11-12-20-26(23,24)16-8-3-2-4-9-16/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 372.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 9367334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).