N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide

C15H15BrN2O2S — CID 60735684

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2S/c1-9(17-15(20)12-7-14(16)21-8-12)11-4-3-5-13(6-11)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyVBDNILDODCJWKR-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide (PubChem CID 60735684) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
PubChem CID60735684
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2S/c1-9(17-15(20)12-7-14(16)21-8-12)11-4-3-5-13(6-11)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyVBDNILDODCJWKR-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
CID 42960778
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 46598585

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide (CID 60735684) is N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2csc(Br)c2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide?
The InChIKey is VBDNILDODCJWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-9(17-15(20)12-7-14(16)21-8-12)11-4-3-5-13(6-11)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 60735684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).