5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide

C21H19BrN2O2S — CID 55834440

IUPAC5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19BrN2O2S/c22-19-12-11-18(27-19)21(26)24-14-20(25)23-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,23,25)(H,24,26)
InChIKeyVHCJJSBPFWYXOY-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.19
Rot. Bonds7

About 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55834440) has the molecular formula C21H19BrN2O2S and a molecular weight of 443.37 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55834440
Molecular FormulaC21H19BrN2O2S
Molecular Weight443.37 g/mol
Exact Mass442.04
IUPAC Name5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19BrN2O2S/c22-19-12-11-18(27-19)21(26)24-14-20(25)23-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,23,25)(H,24,26)
InChIKeyVHCJJSBPFWYXOY-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-5-bromothiophene-2-carboxamide
CID 49084011
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51165739
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 26795770
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55825095
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 55834440) is 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(Br)s1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VHCJJSBPFWYXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2S/c22-19-12-11-18(27-19)21(26)24-14-20(25)23-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55834440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).