N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide

C19H31N3O5S2 — CID 43049414

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCCCN2S(C)(=O)=O)c1
InChIInChI=1S/C19H31N3O5S2/c1-6-21(7-2)29(26,27)16-12-14(3)15(4)17(13-16)20-19(23)18-10-8-9-11-22(18)28(5,24)25/h12-13,18H,6-11H2,1-5H3,(H,20,23)
InChIKeyOULBAXGLDFSVAP-UHFFFAOYSA-N
MW445.61 g/mol
LogP2.09
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 43049414) has the molecular formula C19H31N3O5S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID43049414
Molecular FormulaC19H31N3O5S2
Molecular Weight445.61 g/mol
Exact Mass445.17
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCCCN2S(C)(=O)=O)c1
InChIInChI=1S/C19H31N3O5S2/c1-6-21(7-2)29(26,27)16-12-14(3)15(4)17(13-16)20-19(23)18-10-8-9-11-22(18)28(5,24)25/h12-13,18H,6-11H2,1-5H3,(H,20,23)
InChIKeyOULBAXGLDFSVAP-UHFFFAOYSA-N
XLogP2.09
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692536
2,2,2-trifluoroethyl 4-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]carbamoyl]piperidine-1-carboxylate
CID 24586987
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27832661
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 43049414) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCCCN2S(C)(=O)=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is OULBAXGLDFSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5S2/c1-6-21(7-2)29(26,27)16-12-14(3)15(4)17(13-16)20-19(23)18-10-8-9-11-22(18)28(5,24)25/h12-13,18H,6-11H2,1-5H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 43049414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).