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

C23H29FN4O4S — CID 53005822

IUPAC1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESCc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1C(=O)N1CCCC1
InChIInChI=1S/C23H29FN4O4S/c1-15-20(23(30)27-11-3-4-12-27)21(16(2)25-15)33(31,32)28-13-9-17(10-14-28)22(29)26-19-7-5-18(24)6-8-19/h5-8,17,25H,3-4,9-14H2,1-2H3,(H,26,29)
InChIKeyGQVNBQWILXZRSX-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.05
Rot. Bonds5

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

1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 53005822) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID53005822
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC Name1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESCc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1C(=O)N1CCCC1
InChIInChI=1S/C23H29FN4O4S/c1-15-20(23(30)27-11-3-4-12-27)21(16(2)25-15)33(31,32)28-13-9-17(10-14-28)22(29)26-19-7-5-18(24)6-8-19/h5-8,17,25H,3-4,9-14H2,1-2H3,(H,26,29)
InChIKeyGQVNBQWILXZRSX-UHFFFAOYSA-N
XLogP3.05
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-4-carboxamide
CID 53005811
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53027296
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53027301
N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24655369
2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone
CID 53005840
ethyl 4-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938261
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223995
[4-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,5-dimethyl-1H-pyrrol-3-yl]-piperidin-1-ylmethanone
CID 20945200
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 53005822) is 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide is Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1C(=O)N1CCCC1.
What is the InChIKey of 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is GQVNBQWILXZRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-15-20(23(30)27-11-3-4-12-27)21(16(2)25-15)33(31,32)28-13-9-17(10-14-28)22(29)26-19-7-5-18(24)6-8-19/h5-8,17,25H,3-4,9-14H2,1-2H3,(H,26,29).
What are the key properties of 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53005822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).