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

C24H31N3O3S — CID 46385696

IUPACN-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)c1C
InChIInChI=1S/C24H31N3O3S/c1-17-8-7-9-21(18(17)2)25-23(28)15-26-16-24(3,4)20-14-19(10-11-22(20)26)31(29,30)27-12-5-6-13-27/h7-11,14H,5-6,12-13,15-16H2,1-4H3,(H,25,28)
InChIKeyACZZEZIYFIHRBX-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.82
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide (PubChem CID 46385696) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
PubChem CID46385696
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)c1C
InChIInChI=1S/C24H31N3O3S/c1-17-8-7-9-21(18(17)2)25-23(28)15-26-16-24(3,4)20-14-19(10-11-22(20)26)31(29,30)27-12-5-6-13-27/h7-11,14H,5-6,12-13,15-16H2,1-4H3,(H,25,28)
InChIKeyACZZEZIYFIHRBX-UHFFFAOYSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
CID 46385688
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 50767830
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 50767603
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
CID 46385622
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
N-(2,3-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 23603586
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 23603550
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681782
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9257998

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide (CID 46385696) is N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide is Cc1cccc(NC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
The InChIKey is ACZZEZIYFIHRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-17-8-7-9-21(18(17)2)25-23(28)15-26-16-24(3,4)20-14-19(10-11-22(20)26)31(29,30)27-12-5-6-13-27/h7-11,14H,5-6,12-13,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide has a molecular weight of 441.60 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide is sourced from PubChem (CID 46385696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).