2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide

C15H21ClN2O3S — CID 75442612

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESCC(NCC(=O)NCC1CCS(=O)(=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(13-3-2-4-14(16)7-13)17-9-15(19)18-8-12-5-6-22(20,21)10-12/h2-4,7,11-12,17H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyDPFGQKZVVJJRNZ-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.54
Rot. Bonds6

About 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide

2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (PubChem CID 75442612) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
PubChem CID75442612
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESCC(NCC(=O)NCC1CCS(=O)(=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(13-3-2-4-14(16)7-13)17-9-15(19)18-8-12-5-6-22(20,21)10-12/h2-4,7,11-12,17H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyDPFGQKZVVJJRNZ-UHFFFAOYSA-N
XLogP1.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (CID 75442612) is 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is CC(NCC(=O)NCC1CCS(=O)(=O)C1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The InChIKey is DPFGQKZVVJJRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(13-3-2-4-14(16)7-13)17-9-15(19)18-8-12-5-6-22(20,21)10-12/h2-4,7,11-12,17H,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide has a molecular weight of 344.86 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 75442612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).