5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide

C12H13ClN2OS — CID 90500681

IUPAC5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCn1cccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c13-11-5-4-10(17-11)12(16)14-6-3-9-15-7-1-2-8-15/h1-2,4-5,7-8H,3,6,9H2,(H,14,16)
InChIKeyXANQXNZZAIHOAM-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.02
Rot. Bonds5

About 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide

5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 90500681) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
PubChem CID90500681
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCn1cccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c13-11-5-4-10(17-11)12(16)14-6-3-9-15-7-1-2-8-15/h1-2,4-5,7-8H,3,6,9H2,(H,14,16)
InChIKeyXANQXNZZAIHOAM-UHFFFAOYSA-N
XLogP3.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 38449040
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
CID 169435764
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 71808014
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721086
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233
methyl 4-(3-pyrrol-1-ylpropylcarbamoyl)benzoate
CID 90500522
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide (CID 90500681) is 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide is O=C(NCCCn1cccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is XANQXNZZAIHOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-11-5-4-10(17-11)12(16)14-6-3-9-15-7-1-2-8-15/h1-2,4-5,7-8H,3,6,9H2,(H,14,16).
What are the key properties of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide?
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 268.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 90500681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).