N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

C16H11BrN2O3S — CID 134024197

IUPACN-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2Br)s1)c1ccco1
InChIInChI=1S/C16H11BrN2O3S/c17-10-4-1-2-5-11(10)18-16(21)13-7-8-14(23-13)19-15(20)12-6-3-9-22-12/h1-9H,(H,18,21)(H,19,20)
InChIKeyPJPFGDDUFYMGCX-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.61
Rot. Bonds4

About N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 134024197) has the molecular formula C16H11BrN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID134024197
Molecular FormulaC16H11BrN2O3S
Molecular Weight391.25 g/mol
Exact Mass389.97
IUPAC NameN-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2Br)s1)c1ccco1
InChIInChI=1S/C16H11BrN2O3S/c17-10-4-1-2-5-11(10)18-16(21)13-7-8-14(23-13)19-15(20)12-6-3-9-22-12/h1-9H,(H,18,21)(H,19,20)
InChIKeyPJPFGDDUFYMGCX-UHFFFAOYSA-N
XLogP4.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33373925
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330523
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 52662597
N-[5-[1-(2-bromophenyl)ethyl-propylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 71684878
N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 38613730
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 134024197) is N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2ccccc2Br)s1)c1ccco1.
What is the InChIKey of N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PJPFGDDUFYMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3S/c17-10-4-1-2-5-11(10)18-16(21)13-7-8-14(23-13)19-15(20)12-6-3-9-22-12/h1-9H,(H,18,21)(H,19,20).
What are the key properties of N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 134024197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).