N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide

C22H31N3O3S — CID 56538153

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C22H31N3O3S/c1-6-25(7-2)20(17-12-9-8-10-13-17)21(26)23-18-14-11-15-19(16-18)29(27,28)24-22(3,4)5/h8-16,20,24H,6-7H2,1-5H3,(H,23,26)
InChIKeyOSBKASAGMLIKDK-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.79
Rot. Bonds8

About N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide

N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide (PubChem CID 56538153) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
PubChem CID56538153
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C22H31N3O3S/c1-6-25(7-2)20(17-12-9-8-10-13-17)21(26)23-18-14-11-15-19(16-18)29(27,28)24-22(3,4)5/h8-16,20,24H,6-7H2,1-5H3,(H,23,26)
InChIKeyOSBKASAGMLIKDK-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56581574
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
2-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 9108286
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 9371847

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide (CID 56538153) is N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide is CCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
The InChIKey is OSBKASAGMLIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-6-25(7-2)20(17-12-9-8-10-13-17)21(26)23-18-14-11-15-19(16-18)29(27,28)24-22(3,4)5/h8-16,20,24H,6-7H2,1-5H3,(H,23,26).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide?
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide has a molecular weight of 417.58 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide is sourced from PubChem (CID 56538153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).