N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C16H14N2O4S2 — CID 31836850

IUPACN-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O4S2/c1-11-14(18(20)21)8-15(24-11)16(19)17(9-12-4-2-6-22-12)10-13-5-3-7-23-13/h2-8H,9-10H2,1H3
InChIKeyVEIYPQHKLPWACE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.46
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 31836850) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID31836850
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O4S2/c1-11-14(18(20)21)8-15(24-11)16(19)17(9-12-4-2-6-22-12)10-13-5-3-7-23-13/h2-8H,9-10H2,1H3
InChIKeyVEIYPQHKLPWACE-UHFFFAOYSA-N
XLogP4.46
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495710
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 31836850) is N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VEIYPQHKLPWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-11-14(18(20)21)8-15(24-11)16(19)17(9-12-4-2-6-22-12)10-13-5-3-7-23-13/h2-8H,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 31836850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).