2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide

C18H21FN2O4S — CID 41446708

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H21FN2O4S/c1-4-25-17-10-9-16(11-13(17)2)26(23,24)21(3)12-18(22)20-15-7-5-14(19)6-8-15/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyDRSMWAOMRFSXAP-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.79
Rot. Bonds7

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 41446708) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID41446708
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H21FN2O4S/c1-4-25-17-10-9-16(11-13(17)2)26(23,24)21(3)12-18(22)20-15-7-5-14(19)6-8-15/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyDRSMWAOMRFSXAP-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 45373757
N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 46534955
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
2-[(3-acetamido-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8797485
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
CID 133239159
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 28548744
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 41446708) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is DRSMWAOMRFSXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-4-25-17-10-9-16(11-13(17)2)26(23,24)21(3)12-18(22)20-15-7-5-14(19)6-8-15/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 41446708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).