N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide

C12H17ClN2O4S — CID 113070248

IUPACN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(C)=O)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-9(16)14-6-7-15(20(3,17)18)10-4-5-12(19-2)11(13)8-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyCOHHEERUGBDFFR-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide

N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113070248) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113070248
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(C)=O)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-9(16)14-6-7-15(20(3,17)18)10-4-5-12(19-2)11(13)8-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyCOHHEERUGBDFFR-UHFFFAOYSA-N
XLogP1.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070266
3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
CID 53280919
N-[3-(3-chloro-N-cyano-4-methoxyanilino)propyl]acetamide
CID 75518549
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 53280942
1-(3-chloro-4-methoxyphenyl)-3-[2-[methyl(methylsulfonyl)amino]ethyl]urea
CID 118768412

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide (CID 113070248) is N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide is COc1ccc(N(CCNC(C)=O)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is COHHEERUGBDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-9(16)14-6-7-15(20(3,17)18)10-4-5-12(19-2)11(13)8-10/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 320.80 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113070248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).