5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide

C9H11IN2O2S — CID 78949941

IUPAC5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H11IN2O2S/c1-11-8(13)2-3-12-9(14)6-4-7(10)15-5-6/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyJTYBLWAEFQNKIB-UHFFFAOYSA-N
MW338.17 g/mol
LogP1.22
Rot. Bonds4

About 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide

5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 78949941) has the molecular formula C9H11IN2O2S and a molecular weight of 338.17 g/mol. Its IUPAC name is 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID78949941
Molecular FormulaC9H11IN2O2S
Molecular Weight338.17 g/mol
Exact Mass337.96
IUPAC Name5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1csc(I)c1
InChIInChI=1S/C9H11IN2O2S/c1-11-8(13)2-3-12-9(14)6-4-7(10)15-5-6/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyJTYBLWAEFQNKIB-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
N-but-3-ynyl-5-iodothiophene-3-carboxamide
CID 78960026
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
5-iodo-N-(2-sulfamoylethyl)thiophene-3-carboxamide
CID 78950626
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
CID 115618086
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 78949941) is 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide is CNC(=O)CCNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is JTYBLWAEFQNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2S/c1-11-8(13)2-3-12-9(14)6-4-7(10)15-5-6/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide?
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 338.17 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).