1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

C18H29N4O4S+ — CID 7809321

IUPAC1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H28N4O4S/c1-3-22(4-2)27(25,26)16-7-5-6-15(12-16)20-17(23)13-21-10-8-14(9-11-21)18(19)24/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H2,19,24)(H,20,23)/p+1
InChIKeyLOFAIOUDHMWMGO-UHFFFAOYSA-O
MW397.52 g/mol
LogP-0.56
Rot. Bonds8

About 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 7809321) has the molecular formula C18H29N4O4S+ and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID7809321
Molecular FormulaC18H29N4O4S+
Molecular Weight397.52 g/mol
Exact Mass397.19
IUPAC Name1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H28N4O4S/c1-3-22(4-2)27(25,26)16-7-5-6-15(12-16)20-17(23)13-21-10-8-14(9-11-21)18(19)24/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H2,19,24)(H,20,23)/p+1
InChIKeyLOFAIOUDHMWMGO-UHFFFAOYSA-O
XLogP-0.56
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532936
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 8901828
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46602367
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 7809321) is 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is LOFAIOUDHMWMGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N4O4S/c1-3-22(4-2)27(25,26)16-7-5-6-15(12-16)20-17(23)13-21-10-8-14(9-11-21)18(19)24/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H2,19,24)(H,20,23)/p+1.
What are the key properties of 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7809321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).