1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C24H34N4O5S — CID 53027301

IUPAC1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C24H34N4O5S/c1-16-7-8-20(33-16)15-25-23(29)19-9-13-28(14-10-19)34(31,32)22-18(3)26-17(2)21(22)24(30)27-11-5-4-6-12-27/h7-8,19,26H,4-6,9-15H2,1-3H3,(H,25,29)
InChIKeyAUARVTNXVNBHKX-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.88
Rot. Bonds6

About 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 53027301) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID53027301
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C24H34N4O5S/c1-16-7-8-20(33-16)15-25-23(29)19-9-13-28(14-10-19)34(31,32)22-18(3)26-17(2)21(22)24(30)27-11-5-4-6-12-27/h7-8,19,26H,4-6,9-15H2,1-3H3,(H,25,29)
InChIKeyAUARVTNXVNBHKX-UHFFFAOYSA-N
XLogP2.88
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53005822
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53027296
N-(2,5-difluorophenyl)-1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-4-carboxamide
CID 53005811
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone
CID 53005840
[4-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,5-dimethyl-1H-pyrrol-3-yl]-piperidin-1-ylmethanone
CID 20945200
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
ethyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938268
ethyl 2,5-dimethyl-4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate
CID 53007373
ethyl 1,2,5-trimethyl-4-[3-[(5-methylfuran-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate
CID 22586073
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 20973698
ethyl 4-[4-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938243

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 53027301) is 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)o1.
What is the InChIKey of 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AUARVTNXVNBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-16-7-8-20(33-16)15-25-23(29)19-9-13-28(14-10-19)34(31,32)22-18(3)26-17(2)21(22)24(30)27-11-5-4-6-12-27/h7-8,19,26H,4-6,9-15H2,1-3H3,(H,25,29).
What are the key properties of 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53027301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).