2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

C17H26ClN3O3S — CID 119672230

IUPAC2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25N3O3S.ClH/c21-17(13-18-12-14-7-8-14)19-15-5-4-6-16(11-15)24(22,23)20-9-2-1-3-10-20;/h4-6,11,14,18H,1-3,7-10,12-13H2,(H,19,21);1H
InChIKeyOZAULESTMYDNES-UHFFFAOYSA-N
MW387.93 g/mol
LogP2.22
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 119672230) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID119672230
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25N3O3S.ClH/c21-17(13-18-12-14-7-8-14)19-15-5-4-6-16(11-15)24(22,23)20-9-2-1-3-10-20;/h4-6,11,14,18H,1-3,7-10,12-13H2,(H,19,21);1H
InChIKeyOZAULESTMYDNES-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
CID 35776383
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclopentylacetate
CID 7722486
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 119672233
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
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-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (CID 119672230) is 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is OZAULESTMYDNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c21-17(13-18-12-14-7-8-14)19-15-5-4-6-16(11-15)24(22,23)20-9-2-1-3-10-20;/h4-6,11,14,18H,1-3,7-10,12-13H2,(H,19,21);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119672230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).