N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide

C17H28N2O3S — CID 51169159

IUPACN-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-7-19(12-16(20)18-17(4,5)6)23(21,22)15-10-8-14(9-11-15)13(2)3/h8-11,13H,7,12H2,1-6H3,(H,18,20)
InChIKeyXQKAVUNASWXKIF-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.74
Rot. Bonds6

About N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide

N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide (PubChem CID 51169159) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
PubChem CID51169159
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-7-19(12-16(20)18-17(4,5)6)23(21,22)15-10-8-14(9-11-15)13(2)3/h8-11,13H,7,12H2,1-6H3,(H,18,20)
InChIKeyXQKAVUNASWXKIF-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 45373181
2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 42912907
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 7937672
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817
N-tert-butyl-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-ethylamino]acetamide
CID 8797023
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide (CID 51169159) is N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The InChIKey is XQKAVUNASWXKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-7-19(12-16(20)18-17(4,5)6)23(21,22)15-10-8-14(9-11-15)13(2)3/h8-11,13H,7,12H2,1-6H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide?
N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide has a molecular weight of 340.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 51169159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).