N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide

C19H21Cl2N3O4S — CID 3928825

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c20-16-4-2-1-3-14(16)12-22-13-19(25)23-18-11-15(5-6-17(18)21)29(26,27)24-7-9-28-10-8-24/h1-6,11,22H,7-10,12-13H2,(H,23,25)
InChIKeyRHNSZDPSRXMKIT-UHFFFAOYSA-N
MW458.37 g/mol
LogP2.74
Rot. Bonds7

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide (PubChem CID 3928825) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
PubChem CID3928825
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c20-16-4-2-1-3-14(16)12-22-13-19(25)23-18-11-15(5-6-17(18)21)29(26,27)24-7-9-28-10-8-24/h1-6,11,22H,7-10,12-13H2,(H,23,25)
InChIKeyRHNSZDPSRXMKIT-UHFFFAOYSA-N
XLogP2.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide (CID 3928825) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide is O=C(CNCc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide?
The InChIKey is RHNSZDPSRXMKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c20-16-4-2-1-3-14(16)12-22-13-19(25)23-18-11-15(5-6-17(18)21)29(26,27)24-7-9-28-10-8-24/h1-6,11,22H,7-10,12-13H2,(H,23,25).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide has a molecular weight of 458.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide is sourced from PubChem (CID 3928825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).