5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide

C19H15BrN2O3S — CID 17296862

IUPAC5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)s3)cc2O)cc1
InChIInChI=1S/C19H15BrN2O3S/c1-11-2-4-12(5-3-11)18(24)22-14-7-6-13(10-15(14)23)21-19(25)16-8-9-17(20)26-16/h2-10,23H,1H3,(H,21,25)(H,22,24)
InChIKeyGAGBYNJZNYPODO-UHFFFAOYSA-N
MW431.31 g/mol
LogP5.03
Rot. Bonds4

About 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide

5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 17296862) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID17296862
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC Name5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)s3)cc2O)cc1
InChIInChI=1S/C19H15BrN2O3S/c1-11-2-4-12(5-3-11)18(24)22-14-7-6-13(10-15(14)23)21-19(25)16-8-9-17(20)26-16/h2-10,23H,1H3,(H,21,25)(H,22,24)
InChIKeyGAGBYNJZNYPODO-UHFFFAOYSA-N
XLogP5.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.31
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
CID 17359026
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
2-[(5-bromothiophene-2-carbonyl)amino]-5-iodobenzoic acid
CID 45345767
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 17296862) is 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)s3)cc2O)cc1.
What is the InChIKey of 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is GAGBYNJZNYPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c1-11-2-4-12(5-3-11)18(24)22-14-7-6-13(10-15(14)23)21-19(25)16-8-9-17(20)26-16/h2-10,23H,1H3,(H,21,25)(H,22,24).
What are the key properties of 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 431.31 g/mol, XLogP of 5.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17296862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).