5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide

C11H15IN2O2S — CID 78948643

IUPAC5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H15IN2O2S/c1-3-4-13-10(15)7(2)14-11(16)8-5-9(12)17-6-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPHKIFQJYPAJFQZ-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.00
Rot. Bonds5

About 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide

5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide (PubChem CID 78948643) has the molecular formula C11H15IN2O2S and a molecular weight of 366.22 g/mol. Its IUPAC name is 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
PubChem CID78948643
Molecular FormulaC11H15IN2O2S
Molecular Weight366.22 g/mol
Exact Mass365.99
IUPAC Name5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C11H15IN2O2S/c1-3-4-13-10(15)7(2)14-11(16)8-5-9(12)17-6-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPHKIFQJYPAJFQZ-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.00
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-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 63185587

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide (CID 78948643) is 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide is CCCNC(=O)C(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide?
The InChIKey is PHKIFQJYPAJFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2S/c1-3-4-13-10(15)7(2)14-11(16)8-5-9(12)17-6-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide?
5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 78948643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).