4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide

C20H25ClN2O3S2 — CID 43909078

IUPAC4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCSc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S2/c1-4-27-19-9-6-5-8-17(19)22-20(24)10-7-13-23(28(3,25)26)18-14-16(21)12-11-15(18)2/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,22,24)
InChIKeyITOKEOPNHOXMAF-UHFFFAOYSA-N
MW441.02 g/mol
LogP4.95
Rot. Bonds9

About 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide

4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide (PubChem CID 43909078) has the molecular formula C20H25ClN2O3S2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
PubChem CID43909078
Molecular FormulaC20H25ClN2O3S2
Molecular Weight441.02 g/mol
Exact Mass440.10
IUPAC Name4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCSc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S2/c1-4-27-19-9-6-5-8-17(19)22-20(24)10-7-13-23(28(3,25)26)18-14-16(21)12-11-15(18)2/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,22,24)
InChIKeyITOKEOPNHOXMAF-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.02
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 93486320
ethyl 3-chloro-4-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92681761
N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 53280894
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 21367523
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165481
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99130770

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide (CID 43909078) is 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide is CCSc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O.
What is the InChIKey of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide?
The InChIKey is ITOKEOPNHOXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S2/c1-4-27-19-9-6-5-8-17(19)22-20(24)10-7-13-23(28(3,25)26)18-14-16(21)12-11-15(18)2/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,22,24).
What are the key properties of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide?
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide has a molecular weight of 441.02 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide is sourced from PubChem (CID 43909078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).