2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

C20H28ClN3O3S — CID 70683225

IUPAC2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)Cn2ccc3cccc(Cl)c32)CC1
InChIInChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-17(9-7-15)23-19(25)13-24-11-10-16-4-3-5-18(21)20(16)24/h3-5,10-11,14-15,17,22H,6-9,12-13H2,1-2H3,(H,23,25)
InChIKeyWESWPXJDVWPGCD-UHFFFAOYSA-N
MW425.98 g/mol
LogP3.30
Rot. Bonds7

About 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (PubChem CID 70683225) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
PubChem CID70683225
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC Name2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)Cn2ccc3cccc(Cl)c32)CC1
InChIInChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-17(9-7-15)23-19(25)13-24-11-10-16-4-3-5-18(21)20(16)24/h3-5,10-11,14-15,17,22H,6-9,12-13H2,1-2H3,(H,23,25)
InChIKeyWESWPXJDVWPGCD-UHFFFAOYSA-N
XLogP3.30
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 57345521
2-(5,6-difluoroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70681101
2-(6-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70685315
(R)-2-(4-chlorophenyl)-N-methyl-2-{4-[(methylsulfonyl)amino]-1H-indol-1-yl}butanamide
CID 57525008
2-(3-((2-chlorobenzyl)sulfonyl)-1H-indol-1-yl)-N-(4-(dimethylamino)phenyl)acetamide
CID 16021379
2-{3-[(2-Chlorophenyl)methanesulfonyl]-1H-indol-1-YL}-N-(3-methylphenyl)acetamide
CID 16021415
N-(2-chlorobenzyl)-2-(3-((4-fluorobenzyl)sulfonyl)-1H-indol-1-yl)acetamide
CID 16021455
N-[(2-Chlorophenyl)methyl]-2-[5-(piperidine-1-sulfonyl)-1H-indol-1-YL]propanamide
CID 16022684
2-[5-(Azepane-1-sulfonyl)-1H-indol-1-YL]-N-[(4-chlorophenyl)methyl]propanamide
CID 16022686
2-[5-(Azepane-1-sulfonyl)-1H-indol-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16022867
2-(6-fluoroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70685316
2-(5-fluoroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70687455

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (CID 70683225) is 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is CC(C)S(=O)(=O)NCC1CCC(NC(=O)Cn2ccc3cccc(Cl)c32)CC1.
What is the InChIKey of 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The InChIKey is WESWPXJDVWPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-17(9-7-15)23-19(25)13-24-11-10-16-4-3-5-18(21)20(16)24/h3-5,10-11,14-15,17,22H,6-9,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide has a molecular weight of 425.98 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 70683225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).