2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C19H21N5O4S — CID 24582303

IUPAC2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N5O4S/c25-19(14-24-17-7-3-2-6-16(17)21-22-24)20-13-15-5-1-4-8-18(15)29(26,27)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,20,25)
InChIKeyGQAXQPPODLOHEP-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.77
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 24582303) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID24582303
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N5O4S/c25-19(14-24-17-7-3-2-6-16(17)21-22-24)20-13-15-5-1-4-8-18(15)29(26,27)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,20,25)
InChIKeyGQAXQPPODLOHEP-UHFFFAOYSA-N
XLogP0.77
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 167973790
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31515582
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
2-[methyl-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913244
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 24666189
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 33308662
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24584059

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 24582303) is 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide is O=C(Cn1nnc2ccccc21)NCc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is GQAXQPPODLOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c25-19(14-24-17-7-3-2-6-16(17)21-22-24)20-13-15-5-1-4-8-18(15)29(26,27)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,20,25).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 415.48 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 24582303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).