5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide

C14H19N3O3S — CID 18162881

IUPAC5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H19N3O3S/c1-2-7-15-11(18)8-16-14(20)10-5-6-12(21-10)17-13(19)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeySCWSOCGSDKNOPJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.35
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide (PubChem CID 18162881) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
PubChem CID18162881
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H19N3O3S/c1-2-7-15-11(18)8-16-14(20)10-5-6-12(21-10)17-13(19)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeySCWSOCGSDKNOPJ-UHFFFAOYSA-N
XLogP1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.35
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-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide (CID 18162881) is 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide is CCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is SCWSOCGSDKNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-7-15-11(18)8-16-14(20)10-5-6-12(21-10)17-13(19)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18162881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).