ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C20H33N4O4S+ — CID 8907098

IUPACethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)CC(=O)NC(C)C
InChIInChI=1S/C20H32N4O4S/c1-4-23(14-19(25)21-16(2)3)15-20(26)22-17-9-8-10-18(13-17)29(27,28)24-11-6-5-7-12-24/h8-10,13,16H,4-7,11-12,14-15H2,1-3H3,(H,21,25)(H,22,26)/p+1
InChIKeyVCFZTTZKAYNZNO-UHFFFAOYSA-O
MW425.58 g/mol
LogP0.23
Rot. Bonds9

About ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8907098) has the molecular formula C20H33N4O4S+ and a molecular weight of 425.58 g/mol. Its IUPAC name is ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8907098
Molecular FormulaC20H33N4O4S+
Molecular Weight425.58 g/mol
Exact Mass425.22
IUPAC Nameethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)CC(=O)NC(C)C
InChIInChI=1S/C20H32N4O4S/c1-4-23(14-19(25)21-16(2)3)15-20(26)22-17-9-8-10-18(13-17)29(27,28)24-11-6-5-7-12-24/h8-10,13,16H,4-7,11-12,14-15H2,1-3H3,(H,21,25)(H,22,26)/p+1
InChIKeyVCFZTTZKAYNZNO-UHFFFAOYSA-O
XLogP0.23
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 8712068
2-(4-ethylpyridin-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8857790
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
2-bromo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 62855752
N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8907098) is ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)CC(=O)NC(C)C.
What is the InChIKey of ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is VCFZTTZKAYNZNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H32N4O4S/c1-4-23(14-19(25)21-16(2)3)15-20(26)22-17-9-8-10-18(13-17)29(27,28)24-11-6-5-7-12-24/h8-10,13,16H,4-7,11-12,14-15H2,1-3H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 425.58 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8907098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).