N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide

C18H20N2O4S — CID 113093946

IUPACN-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2N(C(C)=O)C2CC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)20(14-7-8-14)18-6-4-3-5-17(18)19-25(22,23)16-11-9-15(24-2)10-12-16/h3-6,9-12,14,19H,7-8H2,1-2H3
InChIKeyWATQEPXGLRWEKE-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.01
Rot. Bonds6

About N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide

N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 113093946) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
PubChem CID113093946
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2N(C(C)=O)C2CC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)20(14-7-8-14)18-6-4-3-5-17(18)19-25(22,23)16-11-9-15(24-2)10-12-16/h3-6,9-12,14,19H,7-8H2,1-2H3
InChIKeyWATQEPXGLRWEKE-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide (CID 113093946) is N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccccc2N(C(C)=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is WATQEPXGLRWEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(21)20(14-7-8-14)18-6-4-3-5-17(18)19-25(22,23)16-11-9-15(24-2)10-12-16/h3-6,9-12,14,19H,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide?
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 113093946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).