N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide

C17H26N4O4S — CID 110085958

IUPACN,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CCN1C
InChIInChI=1S/C17H26N4O4S/c1-18-17(23)15-12-21(11-10-20(15)3)16(22)9-6-13-4-7-14(8-5-13)26(24,25)19-2/h4-5,7-8,15,19H,6,9-12H2,1-3H3,(H,18,23)
InChIKeyRTSLZGWIOBHNAI-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.58
Rot. Bonds6

About N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide

N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide (PubChem CID 110085958) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
PubChem CID110085958
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CCN1C
InChIInChI=1S/C17H26N4O4S/c1-18-17(23)15-12-21(11-10-20(15)3)16(22)9-6-13-4-7-14(8-5-13)26(24,25)19-2/h4-5,7-8,15,19H,6,9-12H2,1-3H3,(H,18,23)
InChIKeyRTSLZGWIOBHNAI-UHFFFAOYSA-N
XLogP-0.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
CID 91786157
N-methyl-4-[3-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]benzenesulfonamide
CID 70730426
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 55901390
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
N-methyl-4-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 42572717
N-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 30888733

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide (CID 110085958) is N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CCN1C.
What is the InChIKey of N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide?
The InChIKey is RTSLZGWIOBHNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-18-17(23)15-12-21(11-10-20(15)3)16(22)9-6-13-4-7-14(8-5-13)26(24,25)19-2/h4-5,7-8,15,19H,6,9-12H2,1-3H3,(H,18,23).
What are the key properties of N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide?
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 110085958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).