(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide

C21H27ClN2O3S — CID 9371847

IUPAC(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-14(2)19(15-9-11-16(22)12-10-15)20(25)23-17-7-6-8-18(13-17)28(26,27)24-21(3,4)5/h6-14,19,24H,1-5H3,(H,23,25)/t19-/m1/s1
InChIKeyCUJWDAJSBDQAMK-LJQANCHMSA-N
MW422.98 g/mol
LogP4.80
Rot. Bonds6

About (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide

(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide (PubChem CID 9371847) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
PubChem CID9371847
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-14(2)19(15-9-11-16(22)12-10-15)20(25)23-17-7-6-8-18(13-17)28(26,27)24-21(3,4)5/h6-14,19,24H,1-5H3,(H,23,25)/t19-/m1/s1
InChIKeyCUJWDAJSBDQAMK-LJQANCHMSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 9071413
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
CID 55965472
N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9371831
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 9108286
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 9108000

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide (CID 9371847) is (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide is CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide?
The InChIKey is CUJWDAJSBDQAMK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-14(2)19(15-9-11-16(22)12-10-15)20(25)23-17-7-6-8-18(13-17)28(26,27)24-21(3,4)5/h6-14,19,24H,1-5H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide?
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide has a molecular weight of 422.98 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 9371847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).