(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide

C18H20ClNO3S — CID 9071413

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-12(2)17(13-7-9-14(19)10-8-13)18(21)20-15-5-4-6-16(11-15)24(3,22)23/h4-12,17H,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyADEQETVVBSPERD-KRWDZBQOSA-N
MW365.88 g/mol
LogP4.12
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide

(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide (PubChem CID 9071413) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
PubChem CID9071413
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-12(2)17(13-7-9-14(19)10-8-13)18(21)20-15-5-4-6-16(11-15)24(3,22)23/h4-12,17H,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyADEQETVVBSPERD-KRWDZBQOSA-N
XLogP4.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 9371847
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767
(2S)-2-(4-chlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 40891449
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
CID 43055354
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
CID 55965472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide (CID 9071413) is (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide is CC(C)[C@H](C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide?
The InChIKey is ADEQETVVBSPERD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-12(2)17(13-7-9-14(19)10-8-13)18(21)20-15-5-4-6-16(11-15)24(3,22)23/h4-12,17H,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide?
(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide has a molecular weight of 365.88 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 9071413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).