5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide

C13H18N2O2S — CID 18136494

IUPAC5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H18N2O2S/c1-8(2)7-14-13(17)10-5-6-11(18-10)15-12(16)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFWUFWFGKNCFXNT-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.48
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 18136494) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID18136494
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H18N2O2S/c1-8(2)7-14-13(17)10-5-6-11(18-10)15-12(16)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFWUFWFGKNCFXNT-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide (CID 18136494) is 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is FWUFWFGKNCFXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8(2)7-14-13(17)10-5-6-11(18-10)15-12(16)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 18136494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).