N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide

C19H23ClN2O3S — CID 132660106

IUPACN-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-5-17(19(23)21-16-10-8-15(20)9-11-16)22(26(4,24)25)18-12-13(2)6-7-14(18)3/h6-12,17H,5H2,1-4H3,(H,21,23)
InChIKeyHFVRVZCWLOUTQI-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.14
Rot. Bonds6

About N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide

N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide (PubChem CID 132660106) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
PubChem CID132660106
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-5-17(19(23)21-16-10-8-15(20)9-11-16)22(26(4,24)25)18-12-13(2)6-7-14(18)3/h6-12,17H,5H2,1-4H3,(H,21,23)
InChIKeyHFVRVZCWLOUTQI-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)butanamide
CID 100515418
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 132671648
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 132662843
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide
CID 132669270
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 132674568
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132663380
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100546302
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100546309
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 132672791
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166143
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132666046
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132666284

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide (CID 132660106) is N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
The InChIKey is HFVRVZCWLOUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-17(19(23)21-16-10-8-15(20)9-11-16)22(26(4,24)25)18-12-13(2)6-7-14(18)3/h6-12,17H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide has a molecular weight of 394.92 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132660106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).