N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide

C11H15ClN2O3S — CID 112997974

IUPACN-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
SMILESCCS(=O)(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)13-7-11(15)14-10-6-4-5-9(12)8(10)2/h4-6,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyBVUDASOLUKMOKX-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.53
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide

N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide (PubChem CID 112997974) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
PubChem CID112997974
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
SMILESCCS(=O)(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)13-7-11(15)14-10-6-4-5-9(12)8(10)2/h4-6,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyBVUDASOLUKMOKX-UHFFFAOYSA-N
XLogP1.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
CID 47207514
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(2,6-dichlorophenyl)-2-(propylsulfonylamino)acetamide
CID 113001455

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide (CID 112997974) is N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide is CCS(=O)(=O)NCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide?
The InChIKey is BVUDASOLUKMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-18(16,17)13-7-11(15)14-10-6-4-5-9(12)8(10)2/h4-6,13H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide has a molecular weight of 290.77 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide is sourced from PubChem (CID 112997974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).