5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide

C16H18BrNO2S — CID 79987863

IUPAC5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C16H18BrNO2S/c1-11-5-4-6-13(9-11)20-8-7-18(3)16(19)14-10-12(2)15(17)21-14/h4-6,9-10H,7-8H2,1-3H3
InChIKeyBSNDBBXGMQTOQS-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.28
Rot. Bonds5

About 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide

5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide (PubChem CID 79987863) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
PubChem CID79987863
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C16H18BrNO2S/c1-11-5-4-6-13(9-11)20-8-7-18(3)16(19)14-10-12(2)15(17)21-14/h4-6,9-10H,7-8H2,1-3H3
InChIKeyBSNDBBXGMQTOQS-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide (CID 79987863) is 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide is Cc1cccc(OCCN(C)C(=O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is BSNDBBXGMQTOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11-5-4-6-13(9-11)20-8-7-18(3)16(19)14-10-12(2)15(17)21-14/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide?
5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 368.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 79987863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).