2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide

C24H27ClN2O3S — CID 20911230

IUPAC2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C24H27ClN2O3S/c1-26(20-10-3-2-4-11-20)24(28)16-27-15-23(21-12-5-6-13-22(21)27)31(29,30)17-18-8-7-9-19(25)14-18/h5-9,12-15,20H,2-4,10-11,16-17H2,1H3
InChIKeySREBYLDZORTBLT-UHFFFAOYSA-N
MW459.01 g/mol
LogP5.06
Rot. Bonds6

About 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide

2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 20911230) has the molecular formula C24H27ClN2O3S and a molecular weight of 459.01 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID20911230
Molecular FormulaC24H27ClN2O3S
Molecular Weight459.01 g/mol
Exact Mass458.14
IUPAC Name2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C24H27ClN2O3S/c1-26(20-10-3-2-4-11-20)24(28)16-27-15-23(21-12-5-6-13-22(21)27)31(29,30)17-18-8-7-9-19(25)14-18/h5-9,12-15,20H,2-4,10-11,16-17H2,1H3
InChIKeySREBYLDZORTBLT-UHFFFAOYSA-N
XLogP5.06
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 30560046
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide
CID 20911211
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 20911196
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 20911218
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 30560021
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54589374

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide (CID 20911230) is 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)C1CCCCC1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is SREBYLDZORTBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3S/c1-26(20-10-3-2-4-11-20)24(28)16-27-15-23(21-12-5-6-13-22(21)27)31(29,30)17-18-8-7-9-19(25)14-18/h5-9,12-15,20H,2-4,10-11,16-17H2,1H3.
What are the key properties of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 459.01 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 20911230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).