2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide

C18H18ClN3O4S — CID 100797392

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C18H18ClN3O4S/c1-3-26-17-8-7-15(10-16(17)19)27(24,25)22(2)12-18(23)21-14-6-4-5-13(9-14)11-20/h4-10H,3,12H2,1-2H3,(H,21,23)
InChIKeyMUZDPCWGLYXMEU-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.87
Rot. Bonds7

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide (PubChem CID 100797392) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
PubChem CID100797392
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C18H18ClN3O4S/c1-3-26-17-8-7-15(10-16(17)19)27(24,25)22(2)12-18(23)21-14-6-4-5-13(9-14)11-20/h4-10H,3,12H2,1-2H3,(H,21,23)
InChIKeyMUZDPCWGLYXMEU-UHFFFAOYSA-N
XLogP2.87
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45372744
2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
CID 2695486
N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45372774
methyl 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28548377
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 45372712
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848962
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide (CID 100797392) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide?
The InChIKey is MUZDPCWGLYXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-3-26-17-8-7-15(10-16(17)19)27(24,25)22(2)12-18(23)21-14-6-4-5-13(9-14)11-20/h4-10H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide has a molecular weight of 407.88 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 100797392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).