N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide

C12H12BrNO2S2 — CID 79467571

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C12H12BrNO2S2/c1-14(5-8-3-11(13)18-6-8)12(15)10-4-9(16-2)7-17-10/h3-4,6-7H,5H2,1-2H3
InChIKeyRKTHLSOKMGPTNX-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.85
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 79467571) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID79467571
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C12H12BrNO2S2/c1-14(5-8-3-11(13)18-6-8)12(15)10-4-9(16-2)7-17-10/h3-4,6-7H,5H2,1-2H3
InChIKeyRKTHLSOKMGPTNX-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81116579
N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86839473
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromothiophen-3-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60580019
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 47389226
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-methoxyphenyl)propan-1-one
CID 62037158
2-[(5-bromothiophen-3-yl)methyl-methylamino]-4-methoxybenzoic acid
CID 81304608
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (CID 79467571) is N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)Cc2csc(Br)c2)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is RKTHLSOKMGPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-14(5-8-3-11(13)18-6-8)12(15)10-4-9(16-2)7-17-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 346.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 79467571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).