5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide

C18H20N2O2S — CID 41356570

IUPAC5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1
InChIInChI=1S/C18H20N2O2S/c1-10-4-5-11(2)14(8-10)19-18(22)16-12(3)9-15(23-16)20-17(21)13-6-7-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFJZIQJQOKKEEEY-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.27
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 41356570) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID41356570
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1
InChIInChI=1S/C18H20N2O2S/c1-10-4-5-11(2)14(8-10)19-18(22)16-12(3)9-15(23-16)20-17(21)13-6-7-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFJZIQJQOKKEEEY-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24605307
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
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5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 24676616
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 78835864
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide (CID 41356570) is 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide is Cc1ccc(C)c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is FJZIQJQOKKEEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-10-4-5-11(2)14(8-10)19-18(22)16-12(3)9-15(23-16)20-17(21)13-6-7-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 41356570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).