3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide

C21H27FN2O3S — CID 26010193

IUPAC3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C21H27FN2O3S/c1-6-24(7-2)28(26,27)20-14-18(9-8-15(20)3)21(25)23(5)16(4)17-10-12-19(22)13-11-17/h8-14,16H,6-7H2,1-5H3/t16-/m1/s1
InChIKeyLVUATTPLGHAFBU-MRXNPFEDSA-N
MW406.52 g/mol
LogP4.00
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide

3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide (PubChem CID 26010193) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
PubChem CID26010193
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC Name3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C21H27FN2O3S/c1-6-24(7-2)28(26,27)20-14-18(9-8-15(20)3)21(25)23(5)16(4)17-10-12-19(22)13-11-17/h8-14,16H,6-7H2,1-5H3/t16-/m1/s1
InChIKeyLVUATTPLGHAFBU-MRXNPFEDSA-N
XLogP4.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 78828445
N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 17475869
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
CID 43273604
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide (CID 26010193) is 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
The InChIKey is LVUATTPLGHAFBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-6-24(7-2)28(26,27)20-14-18(9-8-15(20)3)21(25)23(5)16(4)17-10-12-19(22)13-11-17/h8-14,16H,6-7H2,1-5H3/t16-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide has a molecular weight of 406.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 26010193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).