5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide

C14H14BrN3O2S — CID 79959546

IUPAC5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C14H14BrN3O2S/c1-8-7-11(21-12(8)15)13(19)17-9-3-5-10(6-4-9)18-14(20)16-2/h3-7H,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyQBAIIGJTOPWEPX-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.82
Rot. Bonds3

About 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide (PubChem CID 79959546) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
PubChem CID79959546
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C14H14BrN3O2S/c1-8-7-11(21-12(8)15)13(19)17-9-3-5-10(6-4-9)18-14(20)16-2/h3-7H,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyQBAIIGJTOPWEPX-UHFFFAOYSA-N
XLogP3.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 79954389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide (CID 79959546) is 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2cc(C)c(Br)s2)cc1.
What is the InChIKey of 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is QBAIIGJTOPWEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-8-7-11(21-12(8)15)13(19)17-9-3-5-10(6-4-9)18-14(20)16-2/h3-7H,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 79959546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).