N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide

C22H29N3O4S — CID 3310880

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCCC1
InChIInChI=1S/C22H29N3O4S/c1-16(2)22(26)23-17-11-12-19(25-13-7-4-8-14-25)21(15-17)30(27,28)24-18-9-5-6-10-20(18)29-3/h5-6,9-12,15-16,24H,4,7-8,13-14H2,1-3H3,(H,23,26)
InChIKeyJZAJBVSZANTHST-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.08
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide (PubChem CID 3310880) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide
PubChem CID3310880
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCCC1
InChIInChI=1S/C22H29N3O4S/c1-16(2)22(26)23-17-11-12-19(25-13-7-4-8-14-25)21(15-17)30(27,28)24-18-9-5-6-10-20(18)29-3/h5-6,9-12,15-16,24H,4,7-8,13-14H2,1-3H3,(H,23,26)
InChIKeyJZAJBVSZANTHST-UHFFFAOYSA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-piperidin-1-ylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide (CID 3310880) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide?
The InChIKey is JZAJBVSZANTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16(2)22(26)23-17-11-12-19(25-13-7-4-8-14-25)21(15-17)30(27,28)24-18-9-5-6-10-20(18)29-3/h5-6,9-12,15-16,24H,4,7-8,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide has a molecular weight of 431.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide is sourced from PubChem (CID 3310880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).