N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide

C20H22ClN5O5S — CID 24512070

IUPACN-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
SMILESCC(On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H22ClN5O5S/c1-14(20(27)22-13-15-4-2-3-5-17(15)21)31-26-19-12-16(6-7-18(19)23-24-26)32(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,22,27)
InChIKeyQAJVKWSYVTURQJ-UHFFFAOYSA-N
MW479.95 g/mol
LogP1.24
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide

N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide (PubChem CID 24512070) has the molecular formula C20H22ClN5O5S and a molecular weight of 479.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
PubChem CID24512070
Molecular FormulaC20H22ClN5O5S
Molecular Weight479.95 g/mol
Exact Mass479.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
SMILESCC(On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H22ClN5O5S/c1-14(20(27)22-13-15-4-2-3-5-17(15)21)31-26-19-12-16(6-7-18(19)23-24-26)32(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,22,27)
InChIKeyQAJVKWSYVTURQJ-UHFFFAOYSA-N
XLogP1.24
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
N-[(2S)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 24537089
N-[(2-chlorophenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27137564
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767805
N-[(2-chlorophenyl)methyl]-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064385
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
CID 24581806
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide (CID 24512070) is N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide is CC(On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide?
The InChIKey is QAJVKWSYVTURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O5S/c1-14(20(27)22-13-15-4-2-3-5-17(15)21)31-26-19-12-16(6-7-18(19)23-24-26)32(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,22,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide?
N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide has a molecular weight of 479.95 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide is sourced from PubChem (CID 24512070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).