N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

C17H19N5O3S — CID 154848638

IUPACN-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCCn2nnc3ccccc32)cc1
InChIInChI=1S/C17H19N5O3S/c1-13-6-8-14(9-7-13)26(24,25)19-12-17(23)18-10-11-22-16-5-3-2-4-15(16)20-21-22/h2-9,19H,10-12H2,1H3,(H,18,23)
InChIKeyZQWZPBZPORPWKR-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.83
Rot. Bonds7

About N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 154848638) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID154848638
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCCn2nnc3ccccc32)cc1
InChIInChI=1S/C17H19N5O3S/c1-13-6-8-14(9-7-13)26(24,25)19-12-17(23)18-10-11-22-16-5-3-2-4-15(16)20-21-22/h2-9,19H,10-12H2,1H3,(H,18,23)
InChIKeyZQWZPBZPORPWKR-UHFFFAOYSA-N
XLogP0.83
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
N-[(Z)-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethylidene]amino]-4-methylbenzenesulfonamide
CID 6536218
N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 50968267
N-[2-[2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]benzimidazol-1-yl]ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 54088876
N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide
CID 4522483
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
N-[2-(benzotriazol-1-yl)ethyl]-N'-cycloheptylbutanediamide
CID 46982982
N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide
CID 166286736
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
N-[(E)-[2-(benzotriazol-1-yl)-1-naphthalen-1-ylethylidene]amino]-4-methylbenzenesulfonamide
CID 86665018
N-[4-(benzotriazol-1-yl)-1-phenylbut-2-ynyl]-4-methylbenzenesulfonamide
CID 3783055

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 154848638) is N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCCn2nnc3ccccc32)cc1.
What is the InChIKey of N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is ZQWZPBZPORPWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-13-6-8-14(9-7-13)26(24,25)19-12-17(23)18-10-11-22-16-5-3-2-4-15(16)20-21-22/h2-9,19H,10-12H2,1H3,(H,18,23).
What are the key properties of N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 373.44 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 154848638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).