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

C16H15BrN2O4S — CID 3158534

IUPAC(4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O4S/c17-12-5-3-11(4-6-12)10-23-15(21)9-18-14(20)8-19-16(22)13-2-1-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22)
InChIKeyKJAQMHFMHOIECO-UHFFFAOYSA-N
MW411.28 g/mol
LogP2.10
Rot. Bonds7

About (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

(4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3158534) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3158534
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC Name(4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O4S/c17-12-5-3-11(4-6-12)10-23-15(21)9-18-14(20)8-19-16(22)13-2-1-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22)
InChIKeyKJAQMHFMHOIECO-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromobenzoate
CID 2428898
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-(Benzylamino)-2-oxoethyl thiophene-2-carboxylate
CID 2355161
(4-Fluorophenyl)methyl 2-{2-[(thiophen-2-YL)formamido]acetamido}acetate
CID 3158551
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158554
methyl 4-({[N-(2-thienylcarbonyl)glycyl]oxy}methyl)benzoate
CID 894944
2-bromobenzyl N-(2-thienylcarbonyl)glycylglycinate
CID 2233124
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2,6-dichloro-benzyl ester
CID 3158541
(4-Bromophenyl)methyl 2-(2-thienylcarbonylamino)acetate
CID 1297937
2-chloro-6-fluorobenzyl N-(2-thienylcarbonyl)glycylglycinate
CID 2203573
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate
CID 2490679

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3158534) is (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is KJAQMHFMHOIECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c17-12-5-3-11(4-6-12)10-23-15(21)9-18-14(20)8-19-16(22)13-2-1-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22).
What are the key properties of (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
(4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 411.28 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3158534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).