4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

C18H22N4O5S2 — CID 154852961

IUPAC4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1C
InChIInChI=1S/C18H22N4O5S2/c1-19-18(23)17-9-14(10-20(17)2)28(24,25)21-11-15(12-21)29(26,27)22-8-7-13-5-3-4-6-16(13)22/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,19,23)
InChIKeyYNZNCEXVZQHYRS-UHFFFAOYSA-N
MW438.53 g/mol
LogP0.15
Rot. Bonds5

About 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 154852961) has the molecular formula C18H22N4O5S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID154852961
Molecular FormulaC18H22N4O5S2
Molecular Weight438.53 g/mol
Exact Mass438.10
IUPAC Name4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1C
InChIInChI=1S/C18H22N4O5S2/c1-19-18(23)17-9-14(10-20(17)2)28(24,25)21-11-15(12-21)29(26,27)22-8-7-13-5-3-4-6-16(13)22/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,19,23)
InChIKeyYNZNCEXVZQHYRS-UHFFFAOYSA-N
XLogP0.15
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 22519166
4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
CID 120766723
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide
CID 71959996
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103576446
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 22519208
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22519198
3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 6625642
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103871490

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 154852961) is 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1C.
What is the InChIKey of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is YNZNCEXVZQHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S2/c1-19-18(23)17-9-14(10-20(17)2)28(24,25)21-11-15(12-21)29(26,27)22-8-7-13-5-3-4-6-16(13)22/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,19,23).
What are the key properties of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 154852961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).