5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide

C13H17N3O3S — CID 18145858

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H17N3O3S/c1-2-14-10(17)7-15-13(19)9-5-6-11(20-9)16-12(18)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyALSOCTSNYKHEPK-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.96
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18145858) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18145858
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H17N3O3S/c1-2-14-10(17)7-15-13(19)9-5-6-11(20-9)16-12(18)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyALSOCTSNYKHEPK-UHFFFAOYSA-N
XLogP0.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 18145858) is 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide is CCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ALSOCTSNYKHEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-14-10(17)7-15-13(19)9-5-6-11(20-9)16-12(18)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,17)(H,15,19)(H,16,18).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18145858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).