[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C19H28N3O4S+ — CID 8917798

IUPAC[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2ccco2)ccc1C
InChIInChI=1S/C19H27N3O4S/c1-5-22(6-2)27(24,25)18-12-16(10-9-14(18)3)21-19(23)13-20-15(4)17-8-7-11-26-17/h7-12,15,20H,5-6,13H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyHDMSMMUSHDKALU-HNNXBMFYSA-O
MW394.52 g/mol
LogP1.88
Rot. Bonds9

About [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8917798) has the molecular formula C19H28N3O4S+ and a molecular weight of 394.52 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8917798
Molecular FormulaC19H28N3O4S+
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2ccco2)ccc1C
InChIInChI=1S/C19H27N3O4S/c1-5-22(6-2)27(24,25)18-12-16(10-9-14(18)3)21-19(23)13-20-15(4)17-8-7-11-26-17/h7-12,15,20H,5-6,13H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyHDMSMMUSHDKALU-HNNXBMFYSA-O
XLogP1.88
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920588
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919420
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333516
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842
[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 8919274
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8917798) is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2ccco2)ccc1C.
What is the InChIKey of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is HDMSMMUSHDKALU-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H27N3O4S/c1-5-22(6-2)27(24,25)18-12-16(10-9-14(18)3)21-19(23)13-20-15(4)17-8-7-11-26-17/h7-12,15,20H,5-6,13H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1.
What are the key properties of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 394.52 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8917798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).