N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide

C19H20ClFN2O2S — CID 16552641

IUPACN-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=C(C=C2)F
InChIInChI=1S/C19H20ClFN2O2S/c1-2-23(19(25)13-26-17-9-7-16(21)8-10-17)12-18(24)22-11-14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyJRATUSLTAREYBS-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.90
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide (PubChem CID 16552641) has the molecular formula C19H20ClFN2O2S and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
PubChem CID16552641
Molecular FormulaC19H20ClFN2O2S
Molecular Weight394.90 g/mol
Exact Mass394.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=C(C=C2)F
InChIInChI=1S/C19H20ClFN2O2S/c1-2-23(19(25)13-26-17-9-7-16(21)8-10-17)12-18(24)22-11-14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyJRATUSLTAREYBS-UHFFFAOYSA-N
XLogP3.90
TPSA74.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity453

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide (CID 16552641) is N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide is CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CSC2=CC=C(C=C2)F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is JRATUSLTAREYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2S/c1-2-23(19(25)13-26-17-9-7-16(21)8-10-17)12-18(24)22-11-14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 394.90 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 16552641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).