2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H31N3O3S — CID 9265434

IUPAC2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNC1CCCCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H31N3O3S/c24-20(16-21-17-9-4-2-1-3-5-10-17)22-18-11-8-12-19(15-18)27(25,26)23-13-6-7-14-23/h8,11-12,15,17,21H,1-7,9-10,13-14,16H2,(H,22,24)
InChIKeyVYKOFIFJPSVIJU-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.11
Rot. Bonds6

About 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9265434) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID9265434
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNC1CCCCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H31N3O3S/c24-20(16-21-17-9-4-2-1-3-5-10-17)22-18-11-8-12-19(15-18)27(25,26)23-13-6-7-14-23/h8,11-12,15,17,21H,1-7,9-10,13-14,16H2,(H,22,24)
InChIKeyVYKOFIFJPSVIJU-UHFFFAOYSA-N
XLogP3.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 110314101
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931048
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
CID 35776383
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9415053
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 9265434) is 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CNC1CCCCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is VYKOFIFJPSVIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c24-20(16-21-17-9-4-2-1-3-5-10-17)22-18-11-8-12-19(15-18)27(25,26)23-13-6-7-14-23/h8,11-12,15,17,21H,1-7,9-10,13-14,16H2,(H,22,24).
What are the key properties of 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 393.55 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9265434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).