N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C23H24N2O3S2 — CID 3844004

IUPACN-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCC1CCCO1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C23H24N2O3S2/c26-21(15-19-10-5-13-29-19)25(17-7-2-1-3-8-17)22(20-11-6-14-30-20)23(27)24-16-18-9-4-12-28-18/h1-3,5-8,10-11,13-14,18,22H,4,9,12,15-16H2,(H,24,27)
InChIKeyHOYIWCDVWRVBIZ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.42
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3844004) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3844004
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC NameN-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCC1CCCO1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C23H24N2O3S2/c26-21(15-19-10-5-13-29-19)25(17-7-2-1-3-8-17)22(20-11-6-14-30-20)23(27)24-16-18-9-4-12-28-18/h1-3,5-8,10-11,13-14,18,22H,4,9,12,15-16H2,(H,24,27)
InChIKeyHOYIWCDVWRVBIZ-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.42
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
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 40783332
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-[[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 25313986
(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964
4-amino-5-N-(4-methylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3433360
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215747
N-[2-(4-ethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215887
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
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
(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1435992

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3844004) is N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NCC1CCCO1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is HOYIWCDVWRVBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c26-21(15-19-10-5-13-29-19)25(17-7-2-1-3-8-17)22(20-11-6-14-30-20)23(27)24-16-18-9-4-12-28-18/h1-3,5-8,10-11,13-14,18,22H,4,9,12,15-16H2,(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 440.59 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3844004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).