[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

C15H14ClNO3S — CID 2437339

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18)
InChIKeyVXNAXQIRLVKSNY-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.80
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2437339) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2437339
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18)
InChIKeyVXNAXQIRLVKSNY-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(Thiophene-2-carbonyl)-amino]-acetic acid 4-chloro-benzyl ester
CID 755838
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2428702
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2079210
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2432823
N-(4-chlorobenzyl)-2-(thiophen-2-yl)acetamide
CID 807688
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 2365512
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2512293
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270646
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364149
[2-(Benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2337950
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2429814

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2437339) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is VXNAXQIRLVKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 323.80 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2437339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).