N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide

C18H21ClN2O5S — CID 30264909

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O5S/c1-4-26-15-7-5-6-14(11-15)21(27(3,23)24)12-18(22)20-16-10-13(19)8-9-17(16)25-2/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyYLZAPNZELGKLJL-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.15
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30264909) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30264909
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O5S/c1-4-26-15-7-5-6-14(11-15)21(27(3,23)24)12-18(22)20-16-10-13(19)8-9-17(16)25-2/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyYLZAPNZELGKLJL-UHFFFAOYSA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221166
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30268918
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43895765
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide (CID 30264909) is N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1cccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is YLZAPNZELGKLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-4-26-15-7-5-6-14(11-15)21(27(3,23)24)12-18(22)20-16-10-13(19)8-9-17(16)25-2/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 412.90 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30264909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).