2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide

C18H28N4O4S — CID 9091175

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-4-22-11-9-16(10-12-22)20-18(24)13-21(3)27(25,26)17-7-5-15(6-8-17)19-14(2)23/h5-8,16H,4,9-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyZTZSEJXTRSBFDG-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.87
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 9091175) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID9091175
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-4-22-11-9-16(10-12-22)20-18(24)13-21(3)27(25,26)17-7-5-15(6-8-17)19-14(2)23/h5-8,16H,4,9-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyZTZSEJXTRSBFDG-UHFFFAOYSA-N
XLogP0.87
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.87
H-Bond Donors ≤ 52
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-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119458682
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087746
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
CID 47079939
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide (CID 9091175) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is ZTZSEJXTRSBFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-4-22-11-9-16(10-12-22)20-18(24)13-21(3)27(25,26)17-7-5-15(6-8-17)19-14(2)23/h5-8,16H,4,9-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 396.51 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 9091175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).