N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H21BrN2O3S — CID 71684878

IUPACN-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)C(C)c1ccccc1Br
InChIInChI=1S/C21H21BrN2O3S/c1-3-12-24(14(2)15-7-4-5-8-16(15)22)21(26)18-10-11-19(28-18)23-20(25)17-9-6-13-27-17/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyVNNFCOQKIDUGDB-UHFFFAOYSA-N
MW461.38 g/mol
LogP5.97
Rot. Bonds7

About N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 71684878) has the molecular formula C21H21BrN2O3S and a molecular weight of 461.38 g/mol. Its IUPAC name is N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID71684878
Molecular FormulaC21H21BrN2O3S
Molecular Weight461.38 g/mol
Exact Mass460.05
IUPAC NameN-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)C(C)c1ccccc1Br
InChIInChI=1S/C21H21BrN2O3S/c1-3-12-24(14(2)15-7-4-5-8-16(15)22)21(26)18-10-11-19(28-18)23-20(25)17-9-6-13-27-17/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyVNNFCOQKIDUGDB-UHFFFAOYSA-N
XLogP5.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.38
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55882220
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55510046
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 86973700
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 71684878) is N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CCCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)C(C)c1ccccc1Br.
What is the InChIKey of N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is VNNFCOQKIDUGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3S/c1-3-12-24(14(2)15-7-4-5-8-16(15)22)21(26)18-10-11-19(28-18)23-20(25)17-9-6-13-27-17/h4-11,13-14H,3,12H2,1-2H3,(H,23,25).
What are the key properties of N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 461.38 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 71684878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).