3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide

C18H20ClN3O5S — CID 2595073

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H20ClN3O5S/c1-12(23)21-13-3-6-15(7-4-13)28(25,26)20-10-9-18(24)22-14-5-8-17(27-2)16(19)11-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYETHJMZETFYHLD-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.61
Rot. Bonds8

About 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 2595073) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID2595073
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H20ClN3O5S/c1-12(23)21-13-3-6-15(7-4-13)28(25,26)20-10-9-18(24)22-14-5-8-17(27-2)16(19)11-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYETHJMZETFYHLD-UHFFFAOYSA-N
XLogP2.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide (CID 2595073) is 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is YETHJMZETFYHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-12(23)21-13-3-6-15(7-4-13)28(25,26)20-10-9-18(24)22-14-5-8-17(27-2)16(19)11-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 425.89 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 2595073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).