N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide

C17H19ClN2O3S — CID 55627714

IUPACN-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11-7-8-15(18)10-17(11)24(22,23)20-12(2)14-5-4-6-16(9-14)19-13(3)21/h4-10,12,20H,1-3H3,(H,19,21)
InChIKeyQAWVTTFSFNEPBX-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.65
Rot. Bonds5

About N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide

N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide (PubChem CID 55627714) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
PubChem CID55627714
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11-7-8-15(18)10-17(11)24(22,23)20-12(2)14-5-4-6-16(9-14)19-13(3)21/h4-10,12,20H,1-3H3,(H,19,21)
InChIKeyQAWVTTFSFNEPBX-UHFFFAOYSA-N
XLogP3.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide (CID 55627714) is N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NS(=O)(=O)c2cc(Cl)ccc2C)c1.
What is the InChIKey of N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide?
The InChIKey is QAWVTTFSFNEPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-7-8-15(18)10-17(11)24(22,23)20-12(2)14-5-4-6-16(9-14)19-13(3)21/h4-10,12,20H,1-3H3,(H,19,21).
What are the key properties of N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 55627714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).