N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide

C24H32N4O4S — CID 53031086

IUPACN-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)n(C)c2)CC1
InChIInChI=1S/C24H32N4O4S/c1-18-8-4-5-9-21(18)25-23(29)19-10-14-28(15-11-19)33(31,32)20-16-22(26(2)17-20)24(30)27-12-6-3-7-13-27/h4-5,8-9,16-17,19H,3,6-7,10-15H2,1-2H3,(H,25,29)
InChIKeySOXSLVZURUPDIV-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.00
Rot. Bonds5

About N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide

N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53031086) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53031086
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)n(C)c2)CC1
InChIInChI=1S/C24H32N4O4S/c1-18-8-4-5-9-21(18)25-23(29)19-10-14-28(15-11-19)33(31,32)20-16-22(26(2)17-20)24(30)27-12-6-3-7-13-27/h4-5,8-9,16-17,19H,3,6-7,10-15H2,1-2H3,(H,25,29)
InChIKeySOXSLVZURUPDIV-UHFFFAOYSA-N
XLogP3.00
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53103203
N-(3-ethylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 50822108
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
1-(4-tert-butylphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 27167039
N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55634692
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CID 24562977
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 2599017
N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 25487798
N-(2-methylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935080
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 24563945
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide (CID 53031086) is N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)n(C)c2)CC1.
What is the InChIKey of N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is SOXSLVZURUPDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-18-8-4-5-9-21(18)25-23(29)19-10-14-28(15-11-19)33(31,32)20-16-22(26(2)17-20)24(30)27-12-6-3-7-13-27/h4-5,8-9,16-17,19H,3,6-7,10-15H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).