N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide

C22H35N3O3S — CID 55345434

IUPACN-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCN(C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C)C1CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-3-25(19-10-6-4-7-11-19)22(26)17-23-21-16-20(13-12-18(21)2)29(27,28)24-14-8-5-9-15-24/h12-13,16,19,23H,3-11,14-15,17H2,1-2H3
InChIKeyKKCSSULGOLCZEG-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.76
Rot. Bonds7

About N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide

N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 55345434) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID55345434
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC NameN-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCN(C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C)C1CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-3-25(19-10-6-4-7-11-19)22(26)17-23-21-16-20(13-12-18(21)2)29(27,28)24-14-8-5-9-15-24/h12-13,16,19,23H,3-11,14-15,17H2,1-2H3
InChIKeyKKCSSULGOLCZEG-UHFFFAOYSA-N
XLogP3.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide
CID 46797719
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 8583454
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 8692999
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931297
2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 31477878

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (CID 55345434) is N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is CCN(C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is KKCSSULGOLCZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-3-25(19-10-6-4-7-11-19)22(26)17-23-21-16-20(13-12-18(21)2)29(27,28)24-14-8-5-9-15-24/h12-13,16,19,23H,3-11,14-15,17H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 421.61 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 55345434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).