N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C21H26N4O6S2 — CID 55671038

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H26N4O6S2/c1-31-20-7-6-17(32(27,28)24-16-4-5-16)13-19(20)23-21(26)15-8-11-25(12-9-15)33(29,30)18-3-2-10-22-14-18/h2-3,6-7,10,13-16,24H,4-5,8-9,11-12H2,1H3,(H,23,26)
InChIKeySVIOVBNRHJHWSR-UHFFFAOYSA-N
MW494.60 g/mol
LogP1.57
Rot. Bonds8

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55671038) has the molecular formula C21H26N4O6S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID55671038
Molecular FormulaC21H26N4O6S2
Molecular Weight494.60 g/mol
Exact Mass494.13
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H26N4O6S2/c1-31-20-7-6-17(32(27,28)24-16-4-5-16)13-19(20)23-21(26)15-8-11-25(12-9-15)33(29,30)18-3-2-10-22-14-18/h2-3,6-7,10,13-16,24H,4-5,8-9,11-12H2,1H3,(H,23,26)
InChIKeySVIOVBNRHJHWSR-UHFFFAOYSA-N
XLogP1.57
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
CID 166184500
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608281
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 55671038) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SVIOVBNRHJHWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S2/c1-31-20-7-6-17(32(27,28)24-16-4-5-16)13-19(20)23-21(26)15-8-11-25(12-9-15)33(29,30)18-3-2-10-22-14-18/h2-3,6-7,10,13-16,24H,4-5,8-9,11-12H2,1H3,(H,23,26).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55671038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).