3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide

C21H27ClN2O3S — CID 28557055

IUPAC3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-15(17-8-10-18(22)11-9-17)23-20(25)14-7-16-5-12-19(13-6-16)28(26,27)24-21(2,3)4/h5-6,8-13,15,24H,7,14H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyVGMMVEDDIVSOQR-HNNXBMFYSA-N
MW422.98 g/mol
LogP4.23
Rot. Bonds7

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide (PubChem CID 28557055) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
PubChem CID28557055
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-15(17-8-10-18(22)11-9-17)23-20(25)14-7-16-5-12-19(13-6-16)28(26,27)24-21(2,3)4/h5-6,8-13,15,24H,7,14H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyVGMMVEDDIVSOQR-HNNXBMFYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402364
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 28557580
N-[1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 43873922
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 126257708
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide (CID 28557055) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide is C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is VGMMVEDDIVSOQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-15(17-8-10-18(22)11-9-17)23-20(25)14-7-16-5-12-19(13-6-16)28(26,27)24-21(2,3)4/h5-6,8-13,15,24H,7,14H2,1-4H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 422.98 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 28557055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).