[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium

C17H29N4O4S+ — CID 9393814

IUPAC[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC)cc1
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)15-10-8-14(9-11-15)12(3)19-13(4)16(22)20-17(23)18-5/h8-13,19H,6-7H2,1-5H3,(H2,18,20,22,23)/p+1/t12-,13+/m1/s1
InChIKeyOANCYFFGRIDOIM-OLZOCXBDSA-O
MW385.51 g/mol
LogP0.19
Rot. Bonds8

About [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium

[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium (PubChem CID 9393814) has the molecular formula C17H29N4O4S+ and a molecular weight of 385.51 g/mol. Its IUPAC name is [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
PubChem CID9393814
Molecular FormulaC17H29N4O4S+
Molecular Weight385.51 g/mol
Exact Mass385.19
IUPAC Name[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC)cc1
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)15-10-8-14(9-11-15)12(3)19-13(4)16(22)20-17(23)18-5/h8-13,19H,6-7H2,1-5H3,(H2,18,20,22,23)/p+1/t12-,13+/m1/s1
InChIKeyOANCYFFGRIDOIM-OLZOCXBDSA-O
XLogP0.19
TPSA112.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 8650124
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium
CID 8650554
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 7784744
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(methylcarbamoyl)propanamide
CID 4815313
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9393890
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8649883
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 2557534
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium (CID 9393814) is [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC)cc1.
What is the InChIKey of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is OANCYFFGRIDOIM-OLZOCXBDSA-O. The full InChI is InChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)15-10-8-14(9-11-15)12(3)19-13(4)16(22)20-17(23)18-5/h8-13,19H,6-7H2,1-5H3,(H2,18,20,22,23)/p+1/t12-,13+/m1/s1.
What are the key properties of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium?
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 385.51 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9393814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).