N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide

C19H23BrN4O4S — CID 25487798

IUPACN-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(Br)c1
InChIInChI=1S/C19H23BrN4O4S/c1-12-3-4-16(15(20)9-12)22-19(26)13-5-7-24(8-6-13)29(27,28)14-10-17(18(21)25)23(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyUWSXEHBQHVOXBC-UHFFFAOYSA-N
MW483.39 g/mol
LogP2.23
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 25487798) has the molecular formula C19H23BrN4O4S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
PubChem CID25487798
Molecular FormulaC19H23BrN4O4S
Molecular Weight483.39 g/mol
Exact Mass482.06
IUPAC NameN-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(Br)c1
InChIInChI=1S/C19H23BrN4O4S/c1-12-3-4-16(15(20)9-12)22-19(26)13-5-7-24(8-6-13)29(27,28)14-10-17(18(21)25)23(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyUWSXEHBQHVOXBC-UHFFFAOYSA-N
XLogP2.23
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
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ethyl 4-[2-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
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1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
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N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
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1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide (CID 25487798) is N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UWSXEHBQHVOXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O4S/c1-12-3-4-16(15(20)9-12)22-19(26)13-5-7-24(8-6-13)29(27,28)14-10-17(18(21)25)23(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 483.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25487798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).