5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

C16H17BrN2OS — CID 119551500

IUPAC5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCNC1
InChIInChI=1S/C16H17BrN2OS/c1-19(13-8-9-18-10-13)16(20)15-7-6-14(21-15)11-2-4-12(17)5-3-11/h2-7,13,18H,8-10H2,1H3
InChIKeyLMHWXVCCFSSEAU-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.61
Rot. Bonds3

About 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 119551500) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID119551500
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCNC1
InChIInChI=1S/C16H17BrN2OS/c1-19(13-8-9-18-10-13)16(20)15-7-6-14(21-15)11-2-4-12(17)5-3-11/h2-7,13,18H,8-10H2,1H3
InChIKeyLMHWXVCCFSSEAU-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-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-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
5-(benzenesulfonyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119550414
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 119551500) is 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCNC1.
What is the InChIKey of 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is LMHWXVCCFSSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-19(13-8-9-18-10-13)16(20)15-7-6-14(21-15)11-2-4-12(17)5-3-11/h2-7,13,18H,8-10H2,1H3.
What are the key properties of 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 119551500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).