4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide

C14H15NO2S — CID 32581114

IUPAC4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide
SMILESCc1cc(C(=O)NOCc2ccccc2)sc1C
InChIInChI=1S/C14H15NO2S/c1-10-8-13(18-11(10)2)14(16)15-17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyWEUJQZNKRFQBFB-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.23
Rot. Bonds4

About 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide

4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide (PubChem CID 32581114) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide
PubChem CID32581114
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide
SMILESCc1cc(C(=O)NOCc2ccccc2)sc1C
InChIInChI=1S/C14H15NO2S/c1-10-8-13(18-11(10)2)14(16)15-17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyWEUJQZNKRFQBFB-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.23
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

2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
3-methyl-N-phenylmethoxythiophene-2-carboxamide
CID 30796107
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
5-methyl-4-[(phenylmethoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254478
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
4-methyl-N-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 66335896
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
CID 61111226

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide (CID 32581114) is 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide is Cc1cc(C(=O)NOCc2ccccc2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide?
The InChIKey is WEUJQZNKRFQBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-8-13(18-11(10)2)14(16)15-17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide?
4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-phenylmethoxythiophene-2-carboxamide is sourced from PubChem (CID 32581114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).