2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide

C27H29N5O2S — CID 23991712

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
SMILESCc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCC2)c2ccsc2)cc1
InChIInChI=1S/C27H29N5O2S/c1-19-10-12-20(13-11-19)16-31(25(33)17-32-24-9-5-4-8-23(24)29-30-32)26(21-14-15-35-18-21)27(34)28-22-6-2-3-7-22/h4-5,8-15,18,22,26H,2-3,6-7,16-17H2,1H3,(H,28,34)
InChIKeyDGVPTZSHXKNRKB-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.63
Rot. Bonds8

About 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide

2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide (PubChem CID 23991712) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
PubChem CID23991712
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
SMILESCc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCC2)c2ccsc2)cc1
InChIInChI=1S/C27H29N5O2S/c1-19-10-12-20(13-11-19)16-31(25(33)17-32-24-9-5-4-8-23(24)29-30-32)26(21-14-15-35-18-21)27(34)28-22-6-2-3-7-22/h4-5,8-15,18,22,26H,2-3,6-7,16-17H2,1H3,(H,28,34)
InChIKeyDGVPTZSHXKNRKB-UHFFFAOYSA-N
XLogP4.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 3198133
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 3198138
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1155747
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-(2,5-dimethoxyphenyl)acetamide
CID 98102826
(2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167221
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167208
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1155707
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167243
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 3198148
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1155710
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentyl-2-(2-ethoxyphenyl)acetamide
CID 98102901
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N,2-bis(4-methoxyphenyl)acetamide
CID 43820186

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide (CID 23991712) is 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide is Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCC2)c2ccsc2)cc1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
The InChIKey is DGVPTZSHXKNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-19-10-12-20(13-11-19)16-31(25(33)17-32-24-9-5-4-8-23(24)29-30-32)26(21-14-15-35-18-21)27(34)28-22-6-2-3-7-22/h4-5,8-15,18,22,26H,2-3,6-7,16-17H2,1H3,(H,28,34).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide has a molecular weight of 487.63 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 23991712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).