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

C12H19BrN2OS — CID 103719320

IUPAC5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
SMILESCCCN(CC)CCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-3-8-15(4-2)9-7-14-12(16)10-5-6-11(13)17-10/h5-6H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyNPVRWXJYBYQHFE-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.97
Rot. Bonds7

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

5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 103719320) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID103719320
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
SMILESCCCN(CC)CCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-3-8-15(4-2)9-7-14-12(16)10-5-6-11(13)17-10/h5-6H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyNPVRWXJYBYQHFE-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075989
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 60653697
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-hex-5-ynylthiophene-2-carboxamide
CID 103757974
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide (CID 103719320) is 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide is CCCN(CC)CCNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is NPVRWXJYBYQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-3-8-15(4-2)9-7-14-12(16)10-5-6-11(13)17-10/h5-6H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103719320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).