2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C17H24FN3O4S — CID 4830495

IUPAC2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H24FN3O4S/c1-2-21(11-17(23)20-15-7-8-26(24,25)12-15)10-16(22)19-9-13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyKSDLNCXTCBCMLX-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.07
Rot. Bonds8

About 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4830495) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4830495
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H24FN3O4S/c1-2-21(11-17(23)20-15-7-8-26(24,25)12-15)10-16(22)19-9-13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyKSDLNCXTCBCMLX-UHFFFAOYSA-N
XLogP0.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4830495) is 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is KSDLNCXTCBCMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-2-21(11-17(23)20-15-7-8-26(24,25)12-15)10-16(22)19-9-13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4830495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).