(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide

C21H23N3O6S — CID 39408255

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C21H23N3O6S/c1-15(23-31(27,28)20-9-7-17(8-10-20)22-16(2)25)21(26)24(13-18-5-3-11-29-18)14-19-6-4-12-30-19/h3-12,15,23H,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyGEJPACCAIWALLY-HNNXBMFYSA-N
MW445.50 g/mol
LogP2.73
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide (PubChem CID 39408255) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide
PubChem CID39408255
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C21H23N3O6S/c1-15(23-31(27,28)20-9-7-17(8-10-20)22-16(2)25)21(26)24(13-18-5-3-11-29-18)14-19-6-4-12-30-19/h3-12,15,23H,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyGEJPACCAIWALLY-HNNXBMFYSA-N
XLogP2.73
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 39408412
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl-methylamino]propanoic acid
CID 119208731
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 55942772
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
[4-[[furan-2-ylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 46135232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide (CID 39408255) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccco2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide?
The InChIKey is GEJPACCAIWALLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-15(23-31(27,28)20-9-7-17(8-10-20)22-16(2)25)21(26)24(13-18-5-3-11-29-18)14-19-6-4-12-30-19/h3-12,15,23H,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide has a molecular weight of 445.50 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 39408255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).