2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide

C21H22N2O5S — CID 26034500

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H22N2O5S/c1-14(20-12-17-6-4-5-7-19(17)28-20)22-21(25)13-23(3)29(26,27)18-10-8-16(9-11-18)15(2)24/h4-12,14H,13H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeySNGCTTABEIMNRJ-AWEZNQCLSA-N
MW414.48 g/mol
LogP3.13
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 26034500) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
PubChem CID26034500
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H22N2O5S/c1-14(20-12-17-6-4-5-7-19(17)28-20)22-21(25)13-23(3)29(26,27)18-10-8-16(9-11-18)15(2)24/h4-12,14H,13H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeySNGCTTABEIMNRJ-AWEZNQCLSA-N
XLogP3.13
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 17492980
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9367440
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide (CID 26034500) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is SNGCTTABEIMNRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-14(20-12-17-6-4-5-7-19(17)28-20)22-21(25)13-23(3)29(26,27)18-10-8-16(9-11-18)15(2)24/h4-12,14H,13H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 26034500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).