N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide

C23H25N3O5S2 — CID 3600197

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3sccc3C)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-16-9-14-32-22(16)23(27)24-18-5-8-20(26-10-12-31-13-11-26)21(15-18)33(28,29)25-17-3-6-19(30-2)7-4-17/h3-9,14-15,25H,10-13H2,1-2H3,(H,24,27)
InChIKeyWGZZCOFPINTINO-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 3600197) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID3600197
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3sccc3C)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-16-9-14-32-22(16)23(27)24-18-5-8-20(26-10-12-31-13-11-26)21(15-18)33(28,29)25-17-3-6-19(30-2)7-4-17/h3-9,14-15,25H,10-13H2,1-2H3,(H,24,27)
InChIKeyWGZZCOFPINTINO-UHFFFAOYSA-N
XLogP3.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 5177115
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}phenyl)thiophene-2-sulfonamide
CID 6621172
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 3307112
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3381484
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide
CID 3457783
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3708012
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3911764
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3932813
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4377135

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide (CID 3600197) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3sccc3C)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is WGZZCOFPINTINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-16-9-14-32-22(16)23(27)24-18-5-8-20(26-10-12-31-13-11-26)21(15-18)33(28,29)25-17-3-6-19(30-2)7-4-17/h3-9,14-15,25H,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 3600197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).