5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

C23H17BrN2O4S — CID 17117556

IUPAC5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C23H17BrN2O4S/c1-29-20-13-16(8-9-17(20)26-23(28)21-3-2-12-31-21)25-22(27)19-11-10-18(30-19)14-4-6-15(24)7-5-14/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyVFCKUGYRPJYQCD-UHFFFAOYSA-N
MW497.37 g/mol
LogP6.28
Rot. Bonds6

About 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 17117556) has the molecular formula C23H17BrN2O4S and a molecular weight of 497.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID17117556
Molecular FormulaC23H17BrN2O4S
Molecular Weight497.37 g/mol
Exact Mass496.01
IUPAC Name5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C23H17BrN2O4S/c1-29-20-13-16(8-9-17(20)26-23(28)21-3-2-12-31-21)25-22(27)19-11-10-18(30-19)14-4-6-15(24)7-5-14/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyVFCKUGYRPJYQCD-UHFFFAOYSA-N
XLogP6.28
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.37
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
CID 6491060
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17117563
N-[4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17317061
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 17117556) is 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)c1cccs1.
What is the InChIKey of 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is VFCKUGYRPJYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O4S/c1-29-20-13-16(8-9-17(20)26-23(28)21-3-2-12-31-21)25-22(27)19-11-10-18(30-19)14-4-6-15(24)7-5-14/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 497.37 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17117556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).