N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C16H18N2O5S2 — CID 6503499

IUPACN-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c1
InChIInChI=1S/C16H18N2O5S2/c1-11-2-3-14(19)13(8-11)17-16(20)15-9-12(10-24-15)25(21,22)18-4-6-23-7-5-18/h2-3,8-10,19H,4-7H2,1H3,(H,17,20)
InChIKeyBGIWNWGXWGCBQP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.04
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503499) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID6503499
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c1
InChIInChI=1S/C16H18N2O5S2/c1-11-2-3-14(19)13(8-11)17-16(20)15-9-12(10-24-15)25(21,22)18-4-6-23-7-5-18/h2-3,8-10,19H,4-7H2,1H3,(H,17,20)
InChIKeyBGIWNWGXWGCBQP-UHFFFAOYSA-N
XLogP2.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-(dimethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
CID 6503102
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 16761905
N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503563
4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 6503499) is N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is BGIWNWGXWGCBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-11-2-3-14(19)13(8-11)17-16(20)15-9-12(10-24-15)25(21,22)18-4-6-23-7-5-18/h2-3,8-10,19H,4-7H2,1H3,(H,17,20).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).