N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide

C22H26ClN3O3S — CID 46385688

IUPACN-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C22H26ClN3O3S/c1-22(2)15-25(14-21(27)24-17-7-5-16(23)6-8-17)20-10-9-18(13-19(20)22)30(28,29)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,24,27)
InChIKeyQWAGLUXQMCDWDA-UHFFFAOYSA-N
MW447.99 g/mol
LogP3.86
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide

N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide (PubChem CID 46385688) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
PubChem CID46385688
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC NameN-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C22H26ClN3O3S/c1-22(2)15-25(14-21(27)24-17-7-5-16(23)6-8-17)20-10-9-18(13-19(20)22)30(28,29)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,24,27)
InChIKeyQWAGLUXQMCDWDA-UHFFFAOYSA-N
XLogP3.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
CID 46385696
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 50767659
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide (CID 46385688) is N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide is CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
The InChIKey is QWAGLUXQMCDWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-22(2)15-25(14-21(27)24-17-7-5-16(23)6-8-17)20-10-9-18(13-19(20)22)30(28,29)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide has a molecular weight of 447.99 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide is sourced from PubChem (CID 46385688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).