N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide

C23H31N3O5S — CID 4263763

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1N1CCOCC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,3)16-22(27)24-17-9-10-19(26-11-13-31-14-12-26)21(15-17)32(28,29)25-18-7-5-6-8-20(18)30-4/h5-10,15,25H,11-14,16H2,1-4H3,(H,24,27)
InChIKeyUZPXMEGTNMTYFH-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.71
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide (PubChem CID 4263763) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
PubChem CID4263763
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1N1CCOCC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,3)16-22(27)24-17-9-10-19(26-11-13-31-14-12-26)21(15-17)32(28,29)25-18-7-5-6-8-20(18)30-4/h5-10,15,25H,11-14,16H2,1-4H3,(H,24,27)
InChIKeyUZPXMEGTNMTYFH-UHFFFAOYSA-N
XLogP3.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide (CID 4263763) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1N1CCOCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
The InChIKey is UZPXMEGTNMTYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-23(2,3)16-22(27)24-17-9-10-19(26-11-13-31-14-12-26)21(15-17)32(28,29)25-18-7-5-6-8-20(18)30-4/h5-10,15,25H,11-14,16H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide has a molecular weight of 461.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 4263763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).