(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide

C23H38N4O6S — CID 10117716

IUPAC(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)N2CCCC[C@H]2C(=O)NCCCN2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C23H38N4O6S/c1-31-20-16-18(17-21(32-2)22(20)33-3)25-34(29,30)27-15-8-5-10-19(27)23(28)24-11-9-14-26-12-6-4-7-13-26/h16-17,19,25H,4-15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyNUMFOWLBRAVIFL-IBGZPJMESA-N
MW498.65 g/mol
LogP2.22
Rot. Bonds11

About (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide

(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide (PubChem CID 10117716) has the molecular formula C23H38N4O6S and a molecular weight of 498.65 g/mol. Its IUPAC name is (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide
PubChem CID10117716
Molecular FormulaC23H38N4O6S
Molecular Weight498.65 g/mol
Exact Mass498.25
IUPAC Name(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)N2CCCC[C@H]2C(=O)NCCCN2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C23H38N4O6S/c1-31-20-16-18(17-21(32-2)22(20)33-3)25-34(29,30)27-15-8-5-10-19(27)23(28)24-11-9-14-26-12-6-4-7-13-26/h16-17,19,25H,4-15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyNUMFOWLBRAVIFL-IBGZPJMESA-N
XLogP2.22
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide
CID 142067161
1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
CID 87056791
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
3,4,5-trimethoxy-N-[3-[4-[3-(3,4,5-trimethoxyanilino)propyl]-1,4-diazepan-1-yl]propyl]aniline
CID 15728776
2-ethyl-N-(2-piperidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749320
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 2973401
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
3-pyrrolidin-1-ylpropyl 3,4,5-trimethoxybenzoate
CID 50896895
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 108802636
4-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]butanoic acid
CID 108789751
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
3,4,5-trimethoxy-N-[3-[4-[3-[(3,4,5-trimethoxyphenyl)sulfonylamino]propyl]-1,4-diazepan-1-yl]propyl]benzenesulfonamide
CID 15728778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide (CID 10117716) is (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide is COc1cc(NS(=O)(=O)N2CCCC[C@H]2C(=O)NCCCN2CCCCC2)cc(OC)c1OC.
What is the InChIKey of (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide?
The InChIKey is NUMFOWLBRAVIFL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H38N4O6S/c1-31-20-16-18(17-21(32-2)22(20)33-3)25-34(29,30)27-15-8-5-10-19(27)23(28)24-11-9-14-26-12-6-4-7-13-26/h16-17,19,25H,4-15H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide?
(2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-piperidin-1-ylpropyl)-1-[(3,4,5-trimethoxyphenyl)sulfamoyl]piperidine-2-carboxamide is sourced from PubChem (CID 10117716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).