5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C14H14BrN3O4S — CID 55825095

IUPAC5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Br)s1)NCc1ccco1
InChIInChI=1S/C14H14BrN3O4S/c15-11-4-3-10(23-11)14(21)18-8-13(20)17-7-12(19)16-6-9-2-1-5-22-9/h1-5H,6-8H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeySOBMTZWHYUUTNK-UHFFFAOYSA-N
MW400.25 g/mol
LogP1.27
Rot. Bonds7

About 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55825095) has the molecular formula C14H14BrN3O4S and a molecular weight of 400.25 g/mol. Its IUPAC name is 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55825095
Molecular FormulaC14H14BrN3O4S
Molecular Weight400.25 g/mol
Exact Mass398.99
IUPAC Name5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Br)s1)NCc1ccco1
InChIInChI=1S/C14H14BrN3O4S/c15-11-4-3-10(23-11)14(21)18-8-13(20)17-7-12(19)16-6-9-2-1-5-22-9/h1-5H,6-8H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeySOBMTZWHYUUTNK-UHFFFAOYSA-N
XLogP1.27
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
5-bromo-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833038
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
(5R)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9080270
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 55825095) is 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)CNC(=O)c1ccc(Br)s1)NCc1ccco1.
What is the InChIKey of 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SOBMTZWHYUUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4S/c15-11-4-3-10(23-11)14(21)18-8-13(20)17-7-12(19)16-6-9-2-1-5-22-9/h1-5H,6-8H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 400.25 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55825095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).