N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C16H12N2O3S2 — CID 3165283

IUPACN-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N2O3S2/c19-16(15-4-2-10-23-15)17(11-14-3-1-9-22-14)12-5-7-13(8-6-12)18(20)21/h1-10H,11H2
InChIKeyDXUOOWQMARWOOS-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.56
Rot. Bonds5

About N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 3165283) has the molecular formula C16H12N2O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID3165283
Molecular FormulaC16H12N2O3S2
Molecular Weight344.42 g/mol
Exact Mass344.03
IUPAC NameN-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N2O3S2/c19-16(15-4-2-10-23-15)17(11-14-3-1-9-22-14)12-5-7-13(8-6-12)18(20)21/h1-10H,11H2
InChIKeyDXUOOWQMARWOOS-UHFFFAOYSA-N
XLogP4.56
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Methanone, [4-(2-fluoro-4-nitrophenyl)-1-piperazinyl](2-thienyl)-
CID 544906
N,N'-1,4-Phenylenebis[2-thiophenecarboxamide]
CID 573445
1-(5-Nitrothiophene-2-carbonyl)-4-phenylpiperazine
CID 2479394
1-[4-(4-Nitrophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 2904576
N-[5-nitro-2-(1-pyrrolidinyl)phenyl]-2-thiophenecarboxamide
CID 2966315
5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
CID 2971205
(2E)-N-methyl-3-(5-nitrothiophen-2-yl)-N-phenylprop-2-enamide
CID 5889252
N-(2-{4-nitroanilino}ethyl)-2-thiophenecarboxamide
CID 3110715
4-(4-Nitrophenyl)piperazinyl 2-thienyl ketone
CID 2838660
3-Thiophenecarboxamide, N-methyl-5-nitro-N-phenyl-
CID 154627
Cambridge id 6039937
CID 2881644
N-(3-{4-nitroanilino}propyl)-2-thiophenecarboxamide
CID 3110729

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 3165283) is N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cccs1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is DXUOOWQMARWOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S2/c19-16(15-4-2-10-23-15)17(11-14-3-1-9-22-14)12-5-7-13(8-6-12)18(20)21/h1-10H,11H2.
What are the key properties of N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3165283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).