(2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C16H15ClN2O4S — CID 3158554

IUPAC(2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O4S/c17-12-5-2-1-4-11(12)10-23-15(21)9-18-14(20)8-19-16(22)13-6-3-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22)
InChIKeyZKQXRGSGCLOULV-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.99
Rot. Bonds7

About (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

(2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3158554) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3158554
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name(2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O4S/c17-12-5-2-1-4-11(12)10-23-15(21)9-18-14(20)8-19-16(22)13-6-3-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22)
InChIKeyZKQXRGSGCLOULV-UHFFFAOYSA-N
XLogP1.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
Benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
CID 24819879
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 4-chloro-benzyl ester
CID 1619220
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2079210
2-(Benzylamino)-2-oxoethyl thiophene-2-carboxylate
CID 2355161
(4-Fluorophenyl)methyl 2-{2-[(thiophen-2-YL)formamido]acetamido}acetate
CID 3158551
methyl 4-({[N-(2-thienylcarbonyl)glycyl]oxy}methyl)benzoate
CID 894944
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-chloro-6-fluoro-benzyl ester
CID 954147
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
2-bromobenzyl N-(2-thienylcarbonyl)glycylglycinate
CID 2233124
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502933

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3158554) is (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is ZKQXRGSGCLOULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c17-12-5-2-1-4-11(12)10-23-15(21)9-18-14(20)8-19-16(22)13-6-3-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22).
What are the key properties of (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
(2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 366.83 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3158554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).