(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide

C17H26N4O4S — CID 9074203

IUPAC(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N4O4S/c1-3-21(4-2)26(24,25)15-9-7-14(8-10-15)19-16(22)13-6-5-11-20(12-13)17(18)23/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,23)(H,19,22)/t13-/m0/s1
InChIKeyNPKUDHSFHVWVHL-ZDUSSCGKSA-N
MW382.49 g/mol
LogP1.45
Rot. Bonds6

About (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 9074203) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID9074203
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N4O4S/c1-3-21(4-2)26(24,25)15-9-7-14(8-10-15)19-16(22)13-6-5-11-20(12-13)17(18)23/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,23)(H,19,22)/t13-/m0/s1
InChIKeyNPKUDHSFHVWVHL-ZDUSSCGKSA-N
XLogP1.45
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
CID 9086541
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
CID 42948243

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide (CID 9074203) is (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cc1.
What is the InChIKey of (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is NPKUDHSFHVWVHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-3-21(4-2)26(24,25)15-9-7-14(8-10-15)19-16(22)13-6-5-11-20(12-13)17(18)23/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,23)(H,19,22)/t13-/m0/s1.
What are the key properties of (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 382.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 9074203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).