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

C18H21FN2O4S — CID 113070438

IUPAC2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O4S/c1-25-17-5-3-4-16(13-17)21(26(2,23)24)11-10-20-18(22)12-14-6-8-15(19)9-7-14/h3-9,13H,10-12H2,1-2H3,(H,20,22)
InChIKeySDLBKOJRPQDDSG-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.96
Rot. Bonds8

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

2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113070438) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113070438
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O4S/c1-25-17-5-3-4-16(13-17)21(26(2,23)24)11-10-20-18(22)12-14-6-8-15(19)9-7-14/h3-9,13H,10-12H2,1-2H3,(H,20,22)
InChIKeySDLBKOJRPQDDSG-UHFFFAOYSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 132944611
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132676703
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155162
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide (CID 113070438) is 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide is COc1cccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is SDLBKOJRPQDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-25-17-5-3-4-16(13-17)21(26(2,23)24)11-10-20-18(22)12-14-6-8-15(19)9-7-14/h3-9,13H,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113070438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).