2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide

C26H23N5O3S — CID 654498

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(NCc1ccco1)C(c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H23N5O3S/c32-24(18-31-22-12-5-4-11-21(22)28-29-31)30(17-19-8-2-1-3-9-19)25(23-13-7-15-35-23)26(33)27-16-20-10-6-14-34-20/h1-15,25H,16-18H2,(H,27,33)
InChIKeyHBRBSDLKZSUAFA-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.17
Rot. Bonds9

About 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide

2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 654498) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID654498
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(NCc1ccco1)C(c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H23N5O3S/c32-24(18-31-22-12-5-4-11-21(22)28-29-31)30(17-19-8-2-1-3-9-19)25(23-13-7-15-35-23)26(33)27-16-20-10-6-14-34-20/h1-15,25H,16-18H2,(H,27,33)
InChIKeyHBRBSDLKZSUAFA-UHFFFAOYSA-N
XLogP4.17
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-(2,6-dimethyl-phenyl)-2-thiophen-2-yl-acetamide
CID 644667
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-p-tolyl-acetamide
CID 648318
2-[(2-Benzotriazol-1-yl-acetyl)-phenyl-amino]-N-furan-2-ylmethyl-2-(5-methyl-furan-2-yl)-acetamide
CID 648356
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-2-(4-fluoro-phenyl)-N-furan-2-ylmethyl-acetamide
CID 649285
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 650168
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-cyclohexyl-2-(4-fluoro-phenyl)-acetamide
CID 651373
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
2-[(2-Benzotriazol-1-yl-acetyl)-benzyl-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 652484
2-[(2-Benzotriazol-1-yl-acetyl)-thiophen-2-ylmethyl-amino]-N-cyclohexyl-2-furan-2-yl-acetamide
CID 653999
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-2-furan-2-yl-N-(2-methoxy-ethyl)-acetamide
CID 654518
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 654646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide (CID 654498) is 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide is O=C(NCc1ccco1)C(c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is HBRBSDLKZSUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c32-24(18-31-22-12-5-4-11-21(22)28-29-31)30(17-19-8-2-1-3-9-19)25(23-13-7-15-35-23)26(33)27-16-20-10-6-14-34-20/h1-15,25H,16-18H2,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 485.57 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 654498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).