2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide

C25H25N5O2S — CID 23941591

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C25H25N5O2S/c31-23(17-29-21-14-7-6-13-20(21)27-28-29)30(19-11-2-1-3-12-19)24(22-15-8-16-33-22)25(32)26-18-9-4-5-10-18/h1-3,6-8,11-16,18,24H,4-5,9-10,17H2,(H,26,32)
InChIKeyXICYUDQCLDMPPJ-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.33
Rot. Bonds7

About 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide (PubChem CID 23941591) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide
PubChem CID23941591
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C25H25N5O2S/c31-23(17-29-21-14-7-6-13-20(21)27-28-29)30(19-11-2-1-3-12-19)24(22-15-8-16-33-22)25(32)26-18-9-4-5-10-18/h1-3,6-8,11-16,18,24H,4-5,9-10,17H2,(H,26,32)
InChIKeyXICYUDQCLDMPPJ-UHFFFAOYSA-N
XLogP4.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 1152354
(2R)-2-(4-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide
CID 1152415
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 1152348
2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 3178137
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 1152370
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-cyclohexylanilino)-N-tert-butyl-2-thiophen-2-ylacetamide
CID 40581278
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-thiophen-2-ylacetamide
CID 3802735
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1152283
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-tert-butyl-2-thiophen-2-ylacetamide
CID 25459684
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-[[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 25313986
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 1155834
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-thiophen-2-ylacetamide
CID 3181864

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide (CID 23941591) is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide is O=C(NC1CCCC1)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide?
The InChIKey is XICYUDQCLDMPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c31-23(17-29-21-14-7-6-13-20(21)27-28-29)30(19-11-2-1-3-12-19)24(22-15-8-16-33-22)25(32)26-18-9-4-5-10-18/h1-3,6-8,11-16,18,24H,4-5,9-10,17H2,(H,26,32).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide has a molecular weight of 459.58 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 23941591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).