N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide

C19H30FN3O4S — CID 35362085

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1F
InChIInChI=1S/C19H30FN3O4S/c1-7-22(13-17(24)21-19(4,5)6)18(25)15-12-14(10-11-16(15)20)28(26,27)23(8-2)9-3/h10-12H,7-9,13H2,1-6H3,(H,21,24)
InChIKeyGVPRPFUIPCTYCQ-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.23
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide (PubChem CID 35362085) has the molecular formula C19H30FN3O4S and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
PubChem CID35362085
Molecular FormulaC19H30FN3O4S
Molecular Weight415.53 g/mol
Exact Mass415.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1F
InChIInChI=1S/C19H30FN3O4S/c1-7-22(13-17(24)21-19(4,5)6)18(25)15-12-14(10-11-16(15)20)28(26,27)23(8-2)9-3/h10-12H,7-9,13H2,1-6H3,(H,21,24)
InChIKeyGVPRPFUIPCTYCQ-UHFFFAOYSA-N
XLogP2.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55605684
5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 86933981
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
CID 31289717
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8625969
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 51169159
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide (CID 35362085) is N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1F.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide?
The InChIKey is GVPRPFUIPCTYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O4S/c1-7-22(13-17(24)21-19(4,5)6)18(25)15-12-14(10-11-16(15)20)28(26,27)23(8-2)9-3/h10-12H,7-9,13H2,1-6H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide has a molecular weight of 415.53 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 35362085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).