2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide

C19H20ClN3O4S — CID 20856569

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H20ClN3O4S/c1-13(24)23-9-8-15-10-17(6-7-18(15)23)28(26,27)22-12-19(25)21-11-14-2-4-16(20)5-3-14/h2-7,10,22H,8-9,11-12H2,1H3,(H,21,25)
InChIKeyBQOZOKBUUCYHNE-UHFFFAOYSA-N
MW421.91 g/mol
LogP1.84
Rot. Bonds6

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 20856569) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID20856569
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H20ClN3O4S/c1-13(24)23-9-8-15-10-17(6-7-18(15)23)28(26,27)22-12-19(25)21-11-14-2-4-16(20)5-3-14/h2-7,10,22H,8-9,11-12H2,1H3,(H,21,25)
InChIKeyBQOZOKBUUCYHNE-UHFFFAOYSA-N
XLogP1.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
2-(5-chloro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 57345520
(2S,3S)-2-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566378
1-acetyl-N-(2-chlorophenyl)-6-indolinesulfonamide
CID 2940704
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
N-(4-methylbenzyl)-1-propionylindoline-5-sulfonamide
CID 15990558
1-Acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 20853143
1-acetyl-N-(2-cyclohex-1-en-1-ylethyl)indoline-5-sulfonamide
CID 3245229
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]propanamide
CID 788728
JH-Lph-33
CID 145946109
N-(4-chlorobenzyl)-N~2~-(2-ethylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 1283333

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide (CID 20856569) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide is CC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is BQOZOKBUUCYHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-13(24)23-9-8-15-10-17(6-7-18(15)23)28(26,27)22-12-19(25)21-11-14-2-4-16(20)5-3-14/h2-7,10,22H,8-9,11-12H2,1H3,(H,21,25).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 421.91 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 20856569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).