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

C11H13BrN2O2S — CID 47098978

IUPAC5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O2S/c12-9-4-3-8(17-9)11(16)14-6-5-13-10(15)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,16)
InChIKeyHSTNYEUPWWSRPQ-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.77
Rot. Bonds5

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

5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide (PubChem CID 47098978) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
PubChem CID47098978
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O2S/c12-9-4-3-8(17-9)11(16)14-6-5-13-10(15)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,16)
InChIKeyHSTNYEUPWWSRPQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
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4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
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CID 115150875
5-bromo-N-hex-5-ynylthiophene-2-carboxamide
CID 103757974
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
CID 114297571
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide (CID 47098978) is 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide is O=C(NCCNC(=O)C1CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is HSTNYEUPWWSRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c12-9-4-3-8(17-9)11(16)14-6-5-13-10(15)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,16).
What are the key properties of 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 317.21 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47098978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).