5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide

C13H18N2O3S — CID 18161199

IUPAC5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H18N2O3S/c1-8(7-18-2)14-13(17)10-5-6-11(19-10)15-12(16)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRAPFTUBCGRTKLS-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.86
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide (PubChem CID 18161199) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
PubChem CID18161199
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H18N2O3S/c1-8(7-18-2)14-13(17)10-5-6-11(19-10)15-12(16)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRAPFTUBCGRTKLS-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide (CID 18161199) is 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide is COCC(C)NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
The InChIKey is RAPFTUBCGRTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(7-18-2)14-13(17)10-5-6-11(19-10)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-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).