N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide

C26H26N2O5S — CID 90750073

IUPACN-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide
SMILESCC1OCC(=O)C1(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C26H26N2O5S/c1-16-26(2,23(30)14-33-16)28-24(31)21(12-17-8-10-20(29)11-9-17)27-25(32)22-13-19(15-34-22)18-6-4-3-5-7-18/h3-11,13,15-16,21,29H,12,14H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyXGLKXNCWMBWNCC-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.32
Rot. Bonds7

About N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide

N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide (PubChem CID 90750073) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide
PubChem CID90750073
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC NameN-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide
SMILESCC1OCC(=O)C1(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C26H26N2O5S/c1-16-26(2,23(30)14-33-16)28-24(31)21(12-17-8-10-20(29)11-9-17)27-25(32)22-13-19(15-34-22)18-6-4-3-5-7-18/h3-11,13,15-16,21,29H,12,14H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyXGLKXNCWMBWNCC-UHFFFAOYSA-N
XLogP3.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide
CID 91442554
4-tert-butyl-N-[(2S)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 10182535
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-3-carboxamide
CID 91034750
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 10155000
N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide
CID 90782289
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1-benzothiophene-2-carboxamide
CID 91214431
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-4-phenylbenzamide
CID 72563054
N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]naphthalene-1-carboxamide
CID 90713036
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159916584
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-2-phenylacetamide
CID 69327933
N-[(2R)-1-[[2-(1-benzothiophene-2-carbonylamino)-3-(2-hydroxyprop-2-enylamino)-3-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 143993329
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide (CID 90750073) is N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide is CC1OCC(=O)C1(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cc(-c2ccccc2)cs1.
What is the InChIKey of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide?
The InChIKey is XGLKXNCWMBWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-16-26(2,23(30)14-33-16)28-24(31)21(12-17-8-10-20(29)11-9-17)27-25(32)22-13-19(15-34-22)18-6-4-3-5-7-18/h3-11,13,15-16,21,29H,12,14H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide?
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 90750073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).