5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide

C14H10N2O3S3 — CID 2739980

IUPAC5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H10N2O3S3/c17-14(12-5-6-13(22-12)16(18)19)15-8-9-3-4-11(21-9)10-2-1-7-20-10/h1-7H,8H2,(H,15,17)
InChIKeyXGEVGRYFWIIUCT-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.38
Rot. Bonds5

About 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide

5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 2739980) has the molecular formula C14H10N2O3S3 and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID2739980
Molecular FormulaC14H10N2O3S3
Molecular Weight350.45 g/mol
Exact Mass349.99
IUPAC Name5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H10N2O3S3/c17-14(12-5-6-13(22-12)16(18)19)15-8-9-3-4-11(21-9)10-2-1-7-20-10/h1-7H,8H2,(H,15,17)
InChIKeyXGEVGRYFWIIUCT-UHFFFAOYSA-N
XLogP4.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
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

N-cyclopentyl-5-nitrothiophene-2-carboxamide
CID 2108334
5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 16373551
N-cycloheptyl-5-nitrothiophene-2-carboxamide
CID 4793744
2-nitro-N-prop-2-enylthiophene-5-carboxamide
CID 4208819
Antitrypanosomal agent 19
CID 169450501
5-nitro-N-[2-[2-[(5-nitrothiophene-2-carbonyl)amino]ethylamino]ethyl]thiophene-2-carboxamide
CID 172448726
N-[4-(methylamino)-4-oxobutyl]-5-nitrothiophene-2-carboxamide
CID 177653024
N-[(E)-3-methylsulfonylprop-2-enyl]-5-nitrothiophene-2-carboxamide
CID 177653040
N-[(E)-3-(benzenesulfonyl)prop-2-enyl]-5-nitrothiophene-2-carboxamide
CID 177653167
N-[3-(4-fluorophenyl)sulfanylpropyl]-5-nitrothiophene-2-carboxamide
CID 26635696
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide
CID 41442446
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide
CID 41442447

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 2739980) is 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(-c2cccs2)s1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XGEVGRYFWIIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S3/c17-14(12-5-6-13(22-12)16(18)19)15-8-9-3-4-11(21-9)10-2-1-7-20-10/h1-7H,8H2,(H,15,17).
What are the key properties of 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide?
5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2739980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).