N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide

C11H10N2O3S — CID 1489061

IUPACN,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C11H10N2O3S/c1-12(2)11(14)10-6-7-5-8(13(15)16)3-4-9(7)17-10/h3-6H,1-2H3
InChIKeyZUEMKGSVVSOTDZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.51
Rot. Bonds2

About N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide

N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide (PubChem CID 1489061) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide
PubChem CID1489061
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC NameN,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C11H10N2O3S/c1-12(2)11(14)10-6-7-5-8(13(15)16)3-4-9(7)17-10/h3-6H,1-2H3
InChIKeyZUEMKGSVVSOTDZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine
CID 3523252
5-nitro-N-propyl-1-benzothiophene-2-carboxamide
CID 2765915
Piperidine, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-
CID 3529867
N,N-diethyl-5-nitro-1-benzothiophene-2-carboxamide
CID 1479969
N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide
CID 1489065
(2,6-Dimethylmorpholino)(5-nitro-1-benzothiophen-2-yl)methanone
CID 2765917
N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 1479987
6-Nitrobenzothiophene-2-carbohydroxamic acid
CID 11736547
5-Nitrobenzothiophene-2-carbohydroxamic acid
CID 58969055
5-Nitro-1-benzothiophene-2-carbohydrazide
CID 3847168
5-nitro-N-phenyl-1-benzothiophene-2-carboxamide
CID 1479973
N-(4-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 29374155

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide (CID 1489061) is N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide is CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1.
What is the InChIKey of N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide?
The InChIKey is ZUEMKGSVVSOTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-12(2)11(14)10-6-7-5-8(13(15)16)3-4-9(7)17-10/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide?
N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1489061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).