2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide

C24H21N5O4S — CID 3206178

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C24H21N5O4S/c30-22(16-29-20-9-2-1-8-19(20)26-27-29)28(15-18-7-5-13-34-18)23(21-10-4-12-33-21)24(31)25-14-17-6-3-11-32-17/h1-13,23H,14-16H2,(H,25,31)
InChIKeyOUTABHCYBVWDGM-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.77
Rot. Bonds9

About 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3206178) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID3206178
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C24H21N5O4S/c30-22(16-29-20-9-2-1-8-19(20)26-27-29)28(15-18-7-5-13-34-18)23(21-10-4-12-33-21)24(31)25-14-17-6-3-11-32-17/h1-13,23H,14-16H2,(H,25,31)
InChIKeyOUTABHCYBVWDGM-UHFFFAOYSA-N
XLogP3.77
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 3206178) is 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide is O=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OUTABHCYBVWDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c30-22(16-29-20-9-2-1-8-19(20)26-27-29)28(15-18-7-5-13-34-18)23(21-10-4-12-33-21)24(31)25-14-17-6-3-11-32-17/h1-13,23H,14-16H2,(H,25,31).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 475.53 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3206178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).