[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate

C14H10BrClN2O4S — CID 16524597

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2O4S/c15-7-1-2-10(16)9(5-7)14(21)22-6-11(19)18-13-8(12(17)20)3-4-23-13/h1-5H,6H2,(H2,17,20)(H,18,19)
InChIKeyQPBPGEBCHMTKTO-UHFFFAOYSA-N
MW417.67 g/mol
LogP3.06
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate (PubChem CID 16524597) has the molecular formula C14H10BrClN2O4S and a molecular weight of 417.67 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
PubChem CID16524597
Molecular FormulaC14H10BrClN2O4S
Molecular Weight417.67 g/mol
Exact Mass415.92
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2O4S/c15-7-1-2-10(16)9(5-7)14(21)22-6-11(19)18-13-8(12(17)20)3-4-23-13/h1-5H,6H2,(H2,17,20)(H,18,19)
InChIKeyQPBPGEBCHMTKTO-UHFFFAOYSA-N
XLogP3.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.67
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2475511
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604149
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(tert-butylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2120151
[2-(3-acetylanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950588
2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171469
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561770
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
CID 79721900
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950546
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950545

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate (CID 16524597) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate is NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The InChIKey is QPBPGEBCHMTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O4S/c15-7-1-2-10(16)9(5-7)14(21)22-6-11(19)18-13-8(12(17)20)3-4-23-13/h1-5H,6H2,(H2,17,20)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate has a molecular weight of 417.67 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 16524597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).