N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide

C21H27N3O5S — CID 4830687

IUPACN-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H27N3O5S/c1-15(2)21(25)22-19-14-18(8-9-20(19)24-10-12-29-13-11-24)30(26,27)23-16-4-6-17(28-3)7-5-16/h4-9,14-15,23H,10-13H2,1-3H3,(H,22,25)
InChIKeyOKDNMUJAJBODQK-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.93
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide

N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide (PubChem CID 4830687) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide
PubChem CID4830687
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H27N3O5S/c1-15(2)21(25)22-19-14-18(8-9-20(19)24-10-12-29-13-11-24)30(26,27)23-16-4-6-17(28-3)7-5-16/h4-9,14-15,23H,10-13H2,1-3H3,(H,22,25)
InChIKeyOKDNMUJAJBODQK-UHFFFAOYSA-N
XLogP2.93
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide (CID 4830687) is N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide is COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide?
The InChIKey is OKDNMUJAJBODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15(2)21(25)22-19-14-18(8-9-20(19)24-10-12-29-13-11-24)30(26,27)23-16-4-6-17(28-3)7-5-16/h4-9,14-15,23H,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide?
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide has a molecular weight of 433.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide is sourced from PubChem (CID 4830687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).