N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide

C14H14BrNO2S — CID 78945937

IUPACN-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H14BrNO2S/c1-16(9-10-5-3-4-6-11(10)15)14(17)13-12(18-2)7-8-19-13/h3-8H,9H2,1-2H3
InChIKeyOXOMFZWHPHMCIF-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide

N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 78945937) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
PubChem CID78945937
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H14BrNO2S/c1-16(9-10-5-3-4-6-11(10)15)14(17)13-12(18-2)7-8-19-13/h3-8H,9H2,1-2H3
InChIKeyOXOMFZWHPHMCIF-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
1-[(2-bromophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 17430467
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 81121564
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide (CID 78945937) is N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide is COc1ccsc1C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is OXOMFZWHPHMCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-16(9-10-5-3-4-6-11(10)15)14(17)13-12(18-2)7-8-19-13/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 78945937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).