1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide

C18H27ClN4O5S — CID 56547862

IUPAC1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCCC(C(N)=O)C2)ccc1Cl
InChIInChI=1S/C18H27ClN4O5S/c1-22(28-2)29(26,27)16-11-13(6-7-15(16)19)18(25)21-8-4-10-23-9-3-5-14(12-23)17(20)24/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyYTZZERBWRKYOAC-UHFFFAOYSA-N
MW446.96 g/mol
LogP0.84
Rot. Bonds9

About 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide

1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide (PubChem CID 56547862) has the molecular formula C18H27ClN4O5S and a molecular weight of 446.96 g/mol. Its IUPAC name is 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide
PubChem CID56547862
Molecular FormulaC18H27ClN4O5S
Molecular Weight446.96 g/mol
Exact Mass446.14
IUPAC Name1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCCC(C(N)=O)C2)ccc1Cl
InChIInChI=1S/C18H27ClN4O5S/c1-22(28-2)29(26,27)16-11-13(6-7-15(16)19)18(25)21-8-4-10-23-9-3-5-14(12-23)17(20)24/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyYTZZERBWRKYOAC-UHFFFAOYSA-N
XLogP0.84
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55765667
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
CID 131909787
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
1-[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669392
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide (CID 56547862) is 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide is CON(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCCC(C(N)=O)C2)ccc1Cl.
What is the InChIKey of 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide?
The InChIKey is YTZZERBWRKYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O5S/c1-22(28-2)29(26,27)16-11-13(6-7-15(16)19)18(25)21-8-4-10-23-9-3-5-14(12-23)17(20)24/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H2,20,24)(H,21,25).
What are the key properties of 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide?
1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide has a molecular weight of 446.96 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 56547862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).