5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C14H16BrNOS2 — CID 79964283

IUPAC5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C14H16BrNOS2/c1-8-7-12(19-13(8)15)14(17)16(4)10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3
InChIKeyKQIBNKXBIXTQMH-UHFFFAOYSA-N
MW358.33 g/mol
LogP5.02
Rot. Bonds3

About 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 79964283) has the molecular formula C14H16BrNOS2 and a molecular weight of 358.33 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID79964283
Molecular FormulaC14H16BrNOS2
Molecular Weight358.33 g/mol
Exact Mass356.99
IUPAC Name5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C14H16BrNOS2/c1-8-7-12(19-13(8)15)14(17)16(4)10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3
InChIKeyKQIBNKXBIXTQMH-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81472617
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
CID 79929208
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 79995043
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61116791
N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 54876858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 79964283) is 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2cc(C)c(Br)s2)s1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KQIBNKXBIXTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS2/c1-8-7-12(19-13(8)15)14(17)16(4)10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 358.33 g/mol, XLogP of 5.02, 3 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-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 79964283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).