1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide

C24H26N4O5S — CID 24562977

IUPAC1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C24H26N4O5S/c1-27-16-19(15-21(27)23(25)29)34(31,32)28-13-11-17(12-14-28)24(30)26-20-9-5-6-10-22(20)33-18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3,(H2,25,29)(H,26,30)
InChIKeyUFMFGYAJVSWXGH-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.96
Rot. Bonds7

About 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 24562977) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID24562977
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C24H26N4O5S/c1-27-16-19(15-21(27)23(25)29)34(31,32)28-13-11-17(12-14-28)24(30)26-20-9-5-6-10-22(20)33-18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3,(H2,25,29)(H,26,30)
InChIKeyUFMFGYAJVSWXGH-UHFFFAOYSA-N
XLogP2.96
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 24563945
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 25487798
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159
N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53031086
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 43036190
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 30860669
1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24658235
N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39909181
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(5-chloro-2-phenoxyphenyl)piperidine-4-carboxamide
CID 126371819
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide (CID 24562977) is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1C(N)=O.
What is the InChIKey of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is UFMFGYAJVSWXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-27-16-19(15-21(27)23(25)29)34(31,32)28-13-11-17(12-14-28)24(30)26-20-9-5-6-10-22(20)33-18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24562977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).