2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone

C26H34N4O4S — CID 53005840

IUPAC2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone
SMILESCc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C26H34N4O4S/c1-18-23(26(32)28-13-6-3-7-14-28)24(19(2)27-18)35(33,34)29-15-10-21(11-16-29)25(31)30-17-12-20-8-4-5-9-22(20)30/h4-5,8-9,21,27H,3,6-7,10-17H2,1-2H3
InChIKeySFWPMWCRAGEYLD-UHFFFAOYSA-N
MW498.65 g/mol
LogP3.25
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone (PubChem CID 53005840) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone
PubChem CID53005840
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone
SMILESCc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C26H34N4O4S/c1-18-23(26(32)28-13-6-3-7-14-28)24(19(2)27-18)35(33,34)29-15-10-21(11-16-29)25(31)30-17-12-20-8-4-5-9-22(20)30/h4-5,8-9,21,27H,3,6-7,10-17H2,1-2H3
InChIKeySFWPMWCRAGEYLD-UHFFFAOYSA-N
XLogP3.25
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
[4-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,5-dimethyl-1H-pyrrol-3-yl]-piperidin-1-ylmethanone
CID 20945200
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53027301
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53027296
2,3-dihydroindol-1-yl-[1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53074769
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
N-(2,5-difluorophenyl)-1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-4-carboxamide
CID 53005811
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
2,3-dihydroindol-1-yl-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 38006990
(2R)-7-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one
CID 92865901

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone (CID 53005840) is 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone is Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1C(=O)N1CCCCC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone?
The InChIKey is SFWPMWCRAGEYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-18-23(26(32)28-13-6-3-7-14-28)24(19(2)27-18)35(33,34)29-15-10-21(11-16-29)25(31)30-17-12-20-8-4-5-9-22(20)30/h4-5,8-9,21,27H,3,6-7,10-17H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone has a molecular weight of 498.65 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 53005840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).