N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide

C20H18N2O4S — CID 6496844

IUPACN-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2O)cc1
InChIInChI=1S/C20H18N2O4S/c1-26-15-7-4-13(5-8-15)20(25)22-17-9-6-14(11-18(17)23)21-19(24)12-16-3-2-10-27-16/h2-11,23H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHHMGCNZJFICRIG-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.90
Rot. Bonds6

About N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide

N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide (PubChem CID 6496844) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
PubChem CID6496844
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2O)cc1
InChIInChI=1S/C20H18N2O4S/c1-26-15-7-4-13(5-8-15)20(25)22-17-9-6-14(11-18(17)23)21-19(24)12-16-3-2-10-27-16/h2-11,23H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHHMGCNZJFICRIG-UHFFFAOYSA-N
XLogP3.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 17358957
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide (CID 6496844) is N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2O)cc1.
What is the InChIKey of N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is HHMGCNZJFICRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-26-15-7-4-13(5-8-15)20(25)22-17-9-6-14(11-18(17)23)21-19(24)12-16-3-2-10-27-16/h2-11,23H,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide?
N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 382.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 6496844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).