2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide

C19H32N4O4S — CID 8766646

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H32N4O4S/c1-7-23(8-2)28(26,27)16-11-9-10-15(12-16)20-17(24)13-22(6)14-18(25)21-19(3,4)5/h9-12H,7-8,13-14H2,1-6H3,(H,20,24)(H,21,25)
InChIKeyNNFNCYZLLCYVPC-UHFFFAOYSA-N
MW412.56 g/mol
LogP1.50
Rot. Bonds9

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 8766646) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID8766646
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H32N4O4S/c1-7-23(8-2)28(26,27)16-11-9-10-15(12-16)20-17(24)13-22(6)14-18(25)21-19(3,4)5/h9-12H,7-8,13-14H2,1-6H3,(H,20,24)(H,21,25)
InChIKeyNNFNCYZLLCYVPC-UHFFFAOYSA-N
XLogP1.50
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
N-[3-(diethylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 16551934
N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide
CID 86908532
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46602367
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
CID 62856650
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 8766646) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is NNFNCYZLLCYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-7-23(8-2)28(26,27)16-11-9-10-15(12-16)20-17(24)13-22(6)14-18(25)21-19(3,4)5/h9-12H,7-8,13-14H2,1-6H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 412.56 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8766646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).