(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C24H25N3O3S — CID 40783332

IUPAC(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)/t20-,23+/m1/s1
InChIKeyASXLGFHXTXKNCW-OFNKIYASSA-N
MW435.55 g/mol
LogP3.76
Rot. Bonds8

About (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 40783332) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID40783332
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)/t20-,23+/m1/s1
InChIKeyASXLGFHXTXKNCW-OFNKIYASSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3216673
N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3844004
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 98108716
(2R)-2-[N-[2-(benzotriazol-1-yl)acetyl]-4-[(2S)-butan-2-yl]anilino]-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylacetamide
CID 25313450
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
N-[2-(4-ethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215887
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215747
N-[2-[2,3-dihydro-1H-inden-5-yl-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25317208
N-[2-oxo-2-(2,4,6-trimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)ethyl]thiophene-2-carboxamide
CID 25317281
N-[2-(2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215866

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 40783332) is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is ASXLGFHXTXKNCW-OFNKIYASSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)/t20-,23+/m1/s1.
What are the key properties of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 435.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 40783332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).