N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide

C16H25ClN2O3S — CID 53280894

IUPACN-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1ccc(Cl)cc1N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-12-8-9-13(17)11-14(12)19(23(5,21)22)10-6-7-15(20)18-16(2,3)4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyZJJBMWPWVCJMTE-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.11
Rot. Bonds6

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

N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53280894) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53280894
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC NameN-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1ccc(Cl)cc1N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-12-8-9-13(17)11-14(12)19(23(5,21)22)10-6-7-15(20)18-16(2,3)4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyZJJBMWPWVCJMTE-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99130770
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165481
N-tert-butyl-2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(4-chlorophenyl)methyl]amino]butanamide
CID 132743756
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 43904618
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-chlorophenyl)methyl]butanamide
CID 133153888
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3,4-dichlorophenyl)methyl]butanamide
CID 132748543
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
CID 43909078
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 93486320
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 124834165
N-(2-bicyclo[2.2.1]heptanyl)-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 53280914
N-tert-butyl-2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(2-chlorophenyl)methyl]amino]butanamide
CID 132743755

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide (CID 53280894) is N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide is Cc1ccc(Cl)cc1N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is ZJJBMWPWVCJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-12-8-9-13(17)11-14(12)19(23(5,21)22)10-6-7-15(20)18-16(2,3)4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide?
N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 360.91 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53280894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).