N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

C19H15BrN2O3S — CID 1258183

IUPACN-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H15BrN2O3S/c1-25-16-11-12(21-18(23)13-5-2-3-6-14(13)20)8-9-15(16)22-19(24)17-7-4-10-26-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyAAUBXTZVMOLOMK-UHFFFAOYSA-N
MW431.31 g/mol
LogP5.02
Rot. Bonds5

About N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 1258183) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID1258183
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC NameN-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H15BrN2O3S/c1-25-16-11-12(21-18(23)13-5-2-3-6-14(13)20)8-9-15(16)22-19(24)17-7-4-10-26-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyAAUBXTZVMOLOMK-UHFFFAOYSA-N
XLogP5.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.31
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 17117556
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-[4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17317061
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
CID 37345483
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[2-methoxy-4-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 17104937
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 1258183) is N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is AAUBXTZVMOLOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c1-25-16-11-12(21-18(23)13-5-2-3-6-14(13)20)8-9-15(16)22-19(24)17-7-4-10-26-17/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 431.31 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1258183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).