N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide

C15H23ClN2O3S — CID 113069981

IUPACN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
SMILESCc1c(Cl)cccc1N(CCNC(=O)CC(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-11(2)10-15(19)17-8-9-18(22(4,20)21)14-7-5-6-13(16)12(14)3/h5-7,11H,8-10H2,1-4H3,(H,17,19)
InChIKeyIYVRKIXGGGPAJA-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide

N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide (PubChem CID 113069981) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
PubChem CID113069981
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
SMILESCc1c(Cl)cccc1N(CCNC(=O)CC(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-11(2)10-15(19)17-8-9-18(22(4,20)21)14-7-5-6-13(16)12(14)3/h5-7,11H,8-10H2,1-4H3,(H,17,19)
InChIKeyIYVRKIXGGGPAJA-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072052
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
ethyl 2-[2-(3-methylbutanoylamino)ethyl-methylsulfonylamino]benzoate
CID 113072131
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069987
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945
N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113070286
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]butanamide
CID 100504765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide (CID 113069981) is N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide is Cc1c(Cl)cccc1N(CCNC(=O)CC(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The InChIKey is IYVRKIXGGGPAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-11(2)10-15(19)17-8-9-18(22(4,20)21)14-7-5-6-13(16)12(14)3/h5-7,11H,8-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide has a molecular weight of 346.88 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113069981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).