N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide

C15H18N2O3S2 — CID 2814956

IUPACN-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C15H18N2O3S2/c18-22(19,15-2-1-11-21-15)16-12-13-3-5-14(6-4-13)17-7-9-20-10-8-17/h1-6,11,16H,7-10,12H2
InChIKeyHJXOFMXJVWXZJR-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.06
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide

N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 2814956) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID2814956
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C15H18N2O3S2/c18-22(19,15-2-1-11-21-15)16-12-13-3-5-14(6-4-13)17-7-9-20-10-8-17/h1-6,11,16H,7-10,12H2
InChIKeyHJXOFMXJVWXZJR-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 30
CID 19434012
2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738606
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
CID 4137719
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
CID 779290
N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 2996512
2-Methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 3402745
N-benzyl-N-(4-methylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 25162081
[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine
CID 43332876
N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 735898
N-[1-(4-cyano-2-fluorophenyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 53544305

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide (CID 2814956) is N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is HJXOFMXJVWXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c18-22(19,15-2-1-11-21-15)16-12-13-3-5-14(6-4-13)17-7-9-20-10-8-17/h1-6,11,16H,7-10,12H2.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide?
N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2814956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).