3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide

C23H32N2O3S — CID 29206514

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C23H32N2O3S/c1-4-25(5-2)29(27,28)22-16-13-21(14-17-22)15-18-23(26)24-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-14,16-17,19H,4-5,11-12,15,18H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyDHGAGNAXKANXGA-LJQANCHMSA-N
MW416.59 g/mol
LogP3.79
Rot. Bonds11

About 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 29206514) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID29206514
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C23H32N2O3S/c1-4-25(5-2)29(27,28)22-16-13-21(14-17-22)15-18-23(26)24-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-14,16-17,19H,4-5,11-12,15,18H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyDHGAGNAXKANXGA-LJQANCHMSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-octan-2-ylpropanamide
CID 55436116
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 29206514) is 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is DHGAGNAXKANXGA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-4-25(5-2)29(27,28)22-16-13-21(14-17-22)15-18-23(26)24-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-14,16-17,19H,4-5,11-12,15,18H2,1-3H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 416.59 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 29206514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).