N-methoxy-5-propan-2-ylthiophene-2-carboxamide

C9H13NO2S — CID 130679310

IUPACN-methoxy-5-propan-2-ylthiophene-2-carboxamide
SMILESCONC(=O)c1ccc(C(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-6(2)7-4-5-8(13-7)9(11)10-12-3/h4-6H,1-3H3,(H,10,11)
InChIKeyVPCANTBPJYIKOD-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.16
Rot. Bonds3

About N-methoxy-5-propan-2-ylthiophene-2-carboxamide

N-methoxy-5-propan-2-ylthiophene-2-carboxamide (PubChem CID 130679310) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N-methoxy-5-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-5-propan-2-ylthiophene-2-carboxamide
PubChem CID130679310
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN-methoxy-5-propan-2-ylthiophene-2-carboxamide
SMILESCONC(=O)c1ccc(C(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-6(2)7-4-5-8(13-7)9(11)10-12-3/h4-6H,1-3H3,(H,10,11)
InChIKeyVPCANTBPJYIKOD-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(4-hydroxyphenyl)-2-[(5-propan-2-ylthiophene-2-carbonyl)amino]propanoate
CID 123427094
5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide
CID 59611645
N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide
CID 166268849
2,5-di(propan-2-yl)thiophene
CID 6429946
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
CID 47154054
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane
CID 143679974
methyl 2-(5-benzoylthiophen-2-yl)propanoate
CID 527330
ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
CID 143276206
(3,4-dihydroxypyrrolidin-1-yl)-(5-propan-2-ylthiophen-2-yl)methanone
CID 59611641

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-methoxy-5-propan-2-ylthiophene-2-carboxamide (CID 130679310) is N-methoxy-5-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methoxy-5-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-methoxy-5-propan-2-ylthiophene-2-carboxamide is CONC(=O)c1ccc(C(C)C)s1.
What is the InChIKey of N-methoxy-5-propan-2-ylthiophene-2-carboxamide?
The InChIKey is VPCANTBPJYIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6(2)7-4-5-8(13-7)9(11)10-12-3/h4-6H,1-3H3,(H,10,11).
What are the key properties of N-methoxy-5-propan-2-ylthiophene-2-carboxamide?
N-methoxy-5-propan-2-ylthiophene-2-carboxamide has a molecular weight of 199.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 130679310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).