N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

C18H15BrN2O2S2 — CID 27839452

IUPACN-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H15BrN2O2S2/c1-21(11-14-8-9-16(19)25-14)18(23)12-4-6-13(7-5-12)20-17(22)15-3-2-10-24-15/h2-10H,11H2,1H3,(H,20,22)
InChIKeyXLFMYYLCDQTXFC-UHFFFAOYSA-N
MW435.37 g/mol
LogP5.10
Rot. Bonds5

About N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 27839452) has the molecular formula C18H15BrN2O2S2 and a molecular weight of 435.37 g/mol. Its IUPAC name is N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID27839452
Molecular FormulaC18H15BrN2O2S2
Molecular Weight435.37 g/mol
Exact Mass433.98
IUPAC NameN-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H15BrN2O2S2/c1-21(11-14-8-9-16(19)25-14)18(23)12-4-6-13(7-5-12)20-17(22)15-3-2-10-24-15/h2-10H,11H2,1H3,(H,20,22)
InChIKeyXLFMYYLCDQTXFC-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839
N-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 27863807
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27839495
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[(5-bromothiophen-2-yl)methyl]-4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 31792131
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 27839452) is N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XLFMYYLCDQTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S2/c1-21(11-14-8-9-16(19)25-14)18(23)12-4-6-13(7-5-12)20-17(22)15-3-2-10-24-15/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 435.37 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27839452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).