N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C16H16BrN3O3S — CID 25163759

IUPACN-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H16BrN3O3S/c1-20(10-14(21)19-12-6-3-2-5-11(12)17)15(22)9-18-16(23)13-7-4-8-24-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,21)
InChIKeyBHSIGXLLVCDTQL-UHFFFAOYSA-N
MW410.29 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 25163759) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID25163759
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H16BrN3O3S/c1-20(10-14(21)19-12-6-3-2-5-11(12)17)15(22)9-18-16(23)13-7-4-8-24-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,21)
InChIKeyBHSIGXLLVCDTQL-UHFFFAOYSA-N
XLogP2.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
4-(4,5-Dibromothiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100759
5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 1246592
N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 4785348
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylthiophene-2-carboxamide
CID 25116998
N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 718994
N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 732311
5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 1247700
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-(3-fluoro-phenyl)-amide
CID 1433196
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 2450658
N-[2-(2-bromoanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2537029
N~2~-{2-[4-(2-Fluorophenyl)piperazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 2622886

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 25163759) is N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BHSIGXLLVCDTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c1-20(10-14(21)19-12-6-3-2-5-11(12)17)15(22)9-18-16(23)13-7-4-8-24-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,21).
What are the key properties of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 410.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 25163759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).