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

C17H13N3O6S — CID 6491060

IUPACN-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C17H13N3O6S/c1-25-13-9-10(18-16(21)12-6-7-15(26-12)20(23)24)4-5-11(13)19-17(22)14-3-2-8-27-14/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyOKAWAEDCRFHBRY-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.76
Rot. Bonds6

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

N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 6491060) has the molecular formula C17H13N3O6S and a molecular weight of 387.37 g/mol. Its IUPAC name is N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID6491060
Molecular FormulaC17H13N3O6S
Molecular Weight387.37 g/mol
Exact Mass387.05
IUPAC NameN-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C17H13N3O6S/c1-25-13-9-10(18-16(21)12-6-7-15(26-12)20(23)24)4-5-11(13)19-17(22)14-3-2-8-27-14/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyOKAWAEDCRFHBRY-UHFFFAOYSA-N
XLogP3.76
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 17117556
N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
CID 743335
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
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-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 17111332

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide (CID 6491060) is N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide is COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is OKAWAEDCRFHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O6S/c1-25-13-9-10(18-16(21)12-6-7-15(26-12)20(23)24)4-5-11(13)19-17(22)14-3-2-8-27-14/h2-9H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 6491060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).