N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide

C20H25N3O5S — CID 1013660

IUPACN-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(24)21-16-7-11-18(12-8-16)29(26,27)23-22-19(25)13-28-17-9-5-15(6-10-17)20(2,3)4/h5-12,23H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyKITHYPPJCPKVQU-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.33
Rot. Bonds7

About N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide

N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide (PubChem CID 1013660) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
PubChem CID1013660
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(24)21-16-7-11-18(12-8-16)29(26,27)23-22-19(25)13-28-17-9-5-15(6-10-17)20(2,3)4/h5-12,23H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyKITHYPPJCPKVQU-UHFFFAOYSA-N
XLogP2.33
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide (CID 1013660) is N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The InChIKey is KITHYPPJCPKVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14(24)21-16-7-11-18(12-8-16)29(26,27)23-22-19(25)13-28-17-9-5-15(6-10-17)20(2,3)4/h5-12,23H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-tert-butylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1013660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).