N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide

C16H19N3O5S — CID 71562191

IUPACN-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide
SMILESCCCCNC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H19N3O5S/c1-3-5-8-17-14(20)11-9-10(4-2)25-16(11)18-15(21)12-6-7-13(24-12)19(22)23/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVEMGZBDNDCSERA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.59
Rot. Bonds8

About N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide

N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 71562191) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID71562191
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide
SMILESCCCCNC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H19N3O5S/c1-3-5-8-17-14(20)11-9-10(4-2)25-16(11)18-15(21)12-6-7-13(24-12)19(22)23/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVEMGZBDNDCSERA-UHFFFAOYSA-N
XLogP3.59
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 39162763
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 51148461
diethyl 3-methyl-5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 2294796
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
CID 39162735
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide (CID 71562191) is N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide is CCCCNC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is VEMGZBDNDCSERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-3-5-8-17-14(20)11-9-10(4-2)25-16(11)18-15(21)12-6-7-13(24-12)19(22)23/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide?
N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 71562191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).