3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide

C26H28FN3O4S — CID 26242937

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1F
InChIInChI=1S/C26H28FN3O4S/c1-4-30(5-2)35(33,34)24-17-20(15-16-22(24)27)25(31)29-23-14-10-9-13-21(23)26(32)28-18(3)19-11-7-6-8-12-19/h6-18H,4-5H2,1-3H3,(H,28,32)(H,29,31)/t18-/m1/s1
InChIKeyMHEXASQHRVLKRL-GOSISDBHSA-N
MW497.59 g/mol
LogP4.60
Rot. Bonds9

About 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide

3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide (PubChem CID 26242937) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
PubChem CID26242937
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1F
InChIInChI=1S/C26H28FN3O4S/c1-4-30(5-2)35(33,34)24-17-20(15-16-22(24)27)25(31)29-23-14-10-9-13-21(23)26(32)28-18(3)19-11-7-6-8-12-19/h6-18H,4-5H2,1-3H3,(H,28,32)(H,29,31)/t18-/m1/s1
InChIKeyMHEXASQHRVLKRL-GOSISDBHSA-N
XLogP4.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 52707592
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
2-[[4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126143977
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935158
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide (CID 26242937) is 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide?
The InChIKey is MHEXASQHRVLKRL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-4-30(5-2)35(33,34)24-17-20(15-16-22(24)27)25(31)29-23-14-10-9-13-21(23)26(32)28-18(3)19-11-7-6-8-12-19/h6-18H,4-5H2,1-3H3,(H,28,32)(H,29,31)/t18-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide?
3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide has a molecular weight of 497.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 26242937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).