N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide

C23H25N3O5S2 — CID 4834938

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)s3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-16-3-10-21(32-16)23(27)24-18-6-9-20(26-11-13-31-14-12-26)22(15-18)33(28,29)25-17-4-7-19(30-2)8-5-17/h3-10,15,25H,11-14H2,1-2H3,(H,24,27)
InChIKeyJJHBJYCUQGRICG-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide (PubChem CID 4834938) 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]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
PubChem CID4834938
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)s3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-16-3-10-21(32-16)23(27)24-18-6-9-20(26-11-13-31-14-12-26)22(15-18)33(28,29)25-17-4-7-19(30-2)8-5-17/h3-10,15,25H,11-14H2,1-2H3,(H,24,27)
InChIKeyJJHBJYCUQGRICG-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-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4265009
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 3933606
3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4849988
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 4021155
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 22109680
4-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylanilino]-4-oxobut-2-enoic acid
CID 4868398
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
CID 24634722
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4831172
2-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 4853933

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide (CID 4834938) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)s3)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JJHBJYCUQGRICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-16-3-10-21(32-16)23(27)24-18-6-9-20(26-11-13-31-14-12-26)22(15-18)33(28,29)25-17-4-7-19(30-2)8-5-17/h3-10,15,25H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4834938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).