N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C15H15BrN2O2S — CID 31215629

IUPACN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H15BrN2O2S/c1-18(10-11-5-2-3-6-12(11)16)14(19)9-17-15(20)13-7-4-8-21-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyUYBHLSAPGPCIND-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 31215629) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID31215629
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H15BrN2O2S/c1-18(10-11-5-2-3-6-12(11)16)14(19)9-17-15(20)13-7-4-8-21-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyUYBHLSAPGPCIND-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
CID 112768433
N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801
2-methyl-5-[[methyl-[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]furan-3-carboxylic acid
CID 120522848
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 31215629) is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(Cc1ccccc1Br)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is UYBHLSAPGPCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-18(10-11-5-2-3-6-12(11)16)14(19)9-17-15(20)13-7-4-8-21-13/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 31215629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).