N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide

C14H13BrN2O3S — CID 33307814

IUPACN-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)s2)cc1NC(C)=O
InChIInChI=1S/C14H13BrN2O3S/c1-8(18)16-10-7-9(3-4-11(10)20-2)17-14(19)12-5-6-13(15)21-12/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyJQKHGSOWIZHKQN-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.73
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide

N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide (PubChem CID 33307814) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
PubChem CID33307814
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)s2)cc1NC(C)=O
InChIInChI=1S/C14H13BrN2O3S/c1-8(18)16-10-7-9(3-4-11(10)20-2)17-14(19)12-5-6-13(15)21-12/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyJQKHGSOWIZHKQN-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 35348384
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide;5-bromothiophene-2-carboxylic acid
CID 67753976
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 82868079
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-carboxamide
CID 61061949
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide (CID 33307814) is N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(Br)s2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide?
The InChIKey is JQKHGSOWIZHKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-8(18)16-10-7-9(3-4-11(10)20-2)17-14(19)12-5-6-13(15)21-12/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide has a molecular weight of 369.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 33307814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).