5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride

C12H17BrClN3O2S — CID 119450670

IUPAC5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCN(CC(=O)NC1CCNC1)C(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C12H16BrN3O2S.ClH/c1-16(12(18)9-2-3-10(13)19-9)7-11(17)15-8-4-5-14-6-8;/h2-3,8,14H,4-7H2,1H3,(H,15,17);1H
InChIKeyUBTSXUJIRPKKGS-UHFFFAOYSA-N
MW382.71 g/mol
LogP1.48
Rot. Bonds4

About 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride

5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119450670) has the molecular formula C12H17BrClN3O2S and a molecular weight of 382.71 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119450670
Molecular FormulaC12H17BrClN3O2S
Molecular Weight382.71 g/mol
Exact Mass380.99
IUPAC Name5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCN(CC(=O)NC1CCNC1)C(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C12H16BrN3O2S.ClH/c1-16(12(18)9-2-3-10(13)19-9)7-11(17)15-8-4-5-14-6-8;/h2-3,8,14H,4-7H2,1H3,(H,15,17);1H
InChIKeyUBTSXUJIRPKKGS-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.71
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride 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

2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800
5-bromo-N-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 119501024
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
5-bromo-N-[2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822962
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626
5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47276155
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 119640733
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119457150
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-3-methylpentanoic acid
CID 119212149
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-4-methylpentanoic acid
CID 119188632
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride (CID 119450670) is 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride is CN(CC(=O)NC1CCNC1)C(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is UBTSXUJIRPKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2S.ClH/c1-16(12(18)9-2-3-10(13)19-9)7-11(17)15-8-4-5-14-6-8;/h2-3,8,14H,4-7H2,1H3,(H,15,17);1H.
What are the key properties of 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 382.71 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119450670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).