4,5-dimethyl-N-phenylthiophene-3-carboxamide

C13H13NOS — CID 3475307

IUPAC4,5-dimethyl-N-phenylthiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C13H13NOS/c1-9-10(2)16-8-12(9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyRPICXQGXJGZEDB-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.62
Rot. Bonds2

About 4,5-dimethyl-N-phenylthiophene-3-carboxamide

4,5-dimethyl-N-phenylthiophene-3-carboxamide (PubChem CID 3475307) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 4,5-dimethyl-N-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-phenylthiophene-3-carboxamide
PubChem CID3475307
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name4,5-dimethyl-N-phenylthiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C13H13NOS/c1-9-10(2)16-8-12(9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyRPICXQGXJGZEDB-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 84554418
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
ethyl 2-[(4,5-dimethylthiophene-3-carbonyl)amino]-5-phenylthiophene-3-carboxylate
CID 84560163
2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2-hydroxy-N-phenylbenzamide
CID 157209959
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide
CID 154766458
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-phenylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-phenylthiophene-3-carboxamide (CID 3475307) is 4,5-dimethyl-N-phenylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-phenylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-phenylthiophene-3-carboxamide is Cc1scc(C(=O)Nc2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-N-phenylthiophene-3-carboxamide?
The InChIKey is RPICXQGXJGZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-9-10(2)16-8-12(9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-phenylthiophene-3-carboxamide?
4,5-dimethyl-N-phenylthiophene-3-carboxamide has a molecular weight of 231.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-phenylthiophene-3-carboxamide is sourced from PubChem (CID 3475307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).