2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid

C16H16N2O4S — CID 783853

IUPAC2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1cccs1
InChIInChI=1S/C16H16N2O4S/c19-15(14-2-1-9-23-14)17-11-3-4-13(12(10-11)16(20)21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)(H,20,21)
InChIKeyBDSZSMQHPDDILC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.54
Rot. Bonds4

About 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid

2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid (PubChem CID 783853) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
PubChem CID783853
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1cccs1
InChIInChI=1S/C16H16N2O4S/c19-15(14-2-1-9-23-14)17-11-3-4-13(12(10-11)16(20)21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)(H,20,21)
InChIKeyBDSZSMQHPDDILC-UHFFFAOYSA-N
XLogP2.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-morpholin-4-yl-3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 157041395
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid
CID 46363267
N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 42751350
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 42762428
N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647
N-[(2-morpholin-4-ylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866569
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 42756086

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid (CID 783853) is 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid is O=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1cccs1.
What is the InChIKey of 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid?
The InChIKey is BDSZSMQHPDDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-15(14-2-1-9-23-14)17-11-3-4-13(12(10-11)16(20)21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)(H,20,21).
What are the key properties of 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid?
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid has a molecular weight of 332.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 783853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).