3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide

C11H15BrN2O2S — CID 47343371

IUPAC3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1sccc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-2-5-13-9(15)3-6-14-11(16)10-8(12)4-7-17-10/h4,7H,2-3,5-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyJVMXTEIKZJTMRS-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.16
Rot. Bonds6

About 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide

3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide (PubChem CID 47343371) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
PubChem CID47343371
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1sccc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-2-5-13-9(15)3-6-14-11(16)10-8(12)4-7-17-10/h4,7H,2-3,5-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyJVMXTEIKZJTMRS-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]sulfinyl-N-propylacetamide
CID 114233015
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63801472
3-bromo-N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
CID 4985303
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 79039212
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide
CID 61073569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide (CID 47343371) is 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide is CCCNC(=O)CCNC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide?
The InChIKey is JVMXTEIKZJTMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-2-5-13-9(15)3-6-14-11(16)10-8(12)4-7-17-10/h4,7H,2-3,5-6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide?
3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 47343371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).