2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide

C18H26N4O4S — CID 119458682

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H26N4O4S/c1-12(23)19-13-5-7-17(8-6-13)27(25,26)22(2)11-18(24)21-16-9-14-3-4-15(10-16)20-14/h5-8,14-16,20H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyAQAMNRVMVKHXRJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.66
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 119458682) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID119458682
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H26N4O4S/c1-12(23)19-13-5-7-17(8-6-13)27(25,26)22(2)11-18(24)21-16-9-14-3-4-15(10-16)20-14/h5-8,14-16,20H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyAQAMNRVMVKHXRJ-UHFFFAOYSA-N
XLogP0.66
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 119455910
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
N-[4-[[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119638514
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087746
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 119458682) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is AQAMNRVMVKHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-12(23)19-13-5-7-17(8-6-13)27(25,26)22(2)11-18(24)21-16-9-14-3-4-15(10-16)20-14/h5-8,14-16,20H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 119458682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).