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

Name: N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉N₅O₃S — CID 154848638

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID	154848638
Molecular Formula	C₁₇H₁₉N₅O₃S
Molecular Weight	373.44 g/mol
Exact Mass	373.12
IUPAC Name	N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILES	Cc1ccc(S(=O)(=O)NCC(=O)NCCn2nnc3ccccc32)cc1
InChI	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)
InChIKey	ZQWZPBZPORPWKR-UHFFFAOYSA-N
XLogP	0.83
TPSA	105.98 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.44
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 154848638 — identifiers, structure, computed properties (public domain)

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