4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide

C8H10N2O4S — CID 58736638

IUPAC4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
SMILESCOc1c(C(=O)N(C)C)csc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-9(2)7(11)5-4-15-8(10(12)13)6(5)14-3/h4H,1-3H3
InChIKeyFUZCNJJFKLSALM-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.37
Rot. Bonds3

About 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide

4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide (PubChem CID 58736638) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
PubChem CID58736638
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
SMILESCOc1c(C(=O)N(C)C)csc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-9(2)7(11)5-4-15-8(10(12)13)6(5)14-3/h4H,1-3H3
InChIKeyFUZCNJJFKLSALM-UHFFFAOYSA-N
XLogP1.37
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.37
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

methyl 4-acetylsulfanyl-5-nitrothiophene-3-carboxylate
CID 851125
1-(4-bromo-5-nitrothiophen-3-yl)ethanone
CID 71113850
(2,5-dimethoxyphenyl)-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3721809
6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide
CID 59675238
2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide
CID 59675329
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 3715663
4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 59675443
3-methoxy-N,N-dimethyl-5-nitrobenzamide
CID 59352996
3,5-dibromo-2-methoxy-N,N-dimethylbenzamide
CID 50850191
2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
2-[3-chloro-4-(dimethylcarbamoyl)thiophen-2-yl]acetic acid
CID 18701936

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide (CID 58736638) is 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide is COc1c(C(=O)N(C)C)csc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
The InChIKey is FUZCNJJFKLSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-9(2)7(11)5-4-15-8(10(12)13)6(5)14-3/h4H,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide has a molecular weight of 230.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide is sourced from PubChem (CID 58736638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).