5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide

C11H17BrN2OS — CID 82939691

IUPAC5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)CN(C)C)sc1Br
InChIInChI=1S/C11H17BrN2OS/c1-7-5-9(16-10(7)12)11(15)13-8(2)6-14(3)4/h5,8H,6H2,1-4H3,(H,13,15)
InChIKeyKGMXLBZXEPDKSG-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.50
Rot. Bonds4

About 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide

5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide (PubChem CID 82939691) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
PubChem CID82939691
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)CN(C)C)sc1Br
InChIInChI=1S/C11H17BrN2OS/c1-7-5-9(16-10(7)12)11(15)13-8(2)6-14(3)4/h5,8H,6H2,1-4H3,(H,13,15)
InChIKeyKGMXLBZXEPDKSG-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 79926896
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981541
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981900
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79947234
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79997188
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide (CID 82939691) is 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC(C)CN(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide?
The InChIKey is KGMXLBZXEPDKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-7-5-9(16-10(7)12)11(15)13-8(2)6-14(3)4/h5,8H,6H2,1-4H3,(H,13,15).
What are the key properties of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 82939691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).