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

C25H26N2O3S — CID 3216673

IUPACN-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCC1CCCO1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C25H26N2O3S/c28-23(17-22-14-8-16-31-22)27(20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)25(29)26-18-21-13-7-15-30-21/h1-6,8-12,14,16,21,24H,7,13,15,17-18H2,(H,26,29)
InChIKeyCCVQQEYXBCUXTE-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.36
Rot. Bonds8

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

N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3216673) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3216673
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCC1CCCO1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C25H26N2O3S/c28-23(17-22-14-8-16-31-22)27(20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)25(29)26-18-21-13-7-15-30-21/h1-6,8-12,14,16,21,24H,7,13,15,17-18H2,(H,26,29)
InChIKeyCCVQQEYXBCUXTE-UHFFFAOYSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3844004
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 40783332
(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-[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-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
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
N-[2-(3,4-dimethoxy-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 92533770
N-[2-(3-chloro-4-fluoro-N-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98108953
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215747
N-[2-[benzyl-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 40786023

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3216673) is N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NCC1CCCO1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is CCVQQEYXBCUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-23(17-22-14-8-16-31-22)27(20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)25(29)26-18-21-13-7-15-30-21/h1-6,8-12,14,16,21,24H,7,13,15,17-18H2,(H,26,29).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 434.56 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3216673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).