(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C23H25N3O3S — CID 93072300

IUPAC(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3ccccc3)cc2C[C@H]1C
InChIInChI=1S/C23H25N3O3S/c1-17-13-20-14-22(10-11-23(20)26(17)18(2)27)30(28,29)24-15-21-9-6-12-25(21)16-19-7-4-3-5-8-19/h3-12,14,17,24H,13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyDLJBQYHPMKWJGR-QGZVFWFLSA-N
MW423.54 g/mol
LogP3.31
Rot. Bonds6

About (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 93072300) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID93072300
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3ccccc3)cc2C[C@H]1C
InChIInChI=1S/C23H25N3O3S/c1-17-13-20-14-22(10-11-23(20)26(17)18(2)27)30(28,29)24-15-21-9-6-12-25(21)16-19-7-4-3-5-8-19/h3-12,14,17,24H,13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyDLJBQYHPMKWJGR-QGZVFWFLSA-N
XLogP3.31
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 53086202
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
1-acetyl-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721574
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 92687840
(2S)-1-acetyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51594780
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 93072300) is (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCc3cccn3Cc3ccccc3)cc2C[C@H]1C.
What is the InChIKey of (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DLJBQYHPMKWJGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17-13-20-14-22(10-11-23(20)26(17)18(2)27)30(28,29)24-15-21-9-6-12-25(21)16-19-7-4-3-5-8-19/h3-12,14,17,24H,13,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 93072300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).