4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide

C20H19NO4S — CID 35541317

IUPAC4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccccc2o1)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C20H19NO4S/c22-17-11-19(25-18-8-2-1-7-16(17)18)20(23)21(12-14-5-3-9-24-14)13-15-6-4-10-26-15/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2/t14-/m0/s1
InChIKeyFAQCDVXAVUOXOM-AWEZNQCLSA-N
MW369.44 g/mol
LogP3.68
Rot. Bonds5

About 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide

4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide (PubChem CID 35541317) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
PubChem CID35541317
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccccc2o1)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C20H19NO4S/c22-17-11-19(25-18-8-2-1-7-16(17)18)20(23)21(12-14-5-3-9-24-14)13-15-6-4-10-26-15/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2/t14-/m0/s1
InChIKeyFAQCDVXAVUOXOM-AWEZNQCLSA-N
XLogP3.68
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
7-bromo-N-(naphthalen-1-ylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843453
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
N-(furan-3-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 90582947
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 55391194
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
4-oxo-N-(oxolan-2-ylmethyl)-3-propan-2-yl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 55389136
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide (CID 35541317) is 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide is O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccs1)C[C@@H]1CCCO1.
What is the InChIKey of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The InChIKey is FAQCDVXAVUOXOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19NO4S/c22-17-11-19(25-18-8-2-1-7-16(17)18)20(23)21(12-14-5-3-9-24-14)13-15-6-4-10-26-15/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2/t14-/m0/s1.
What are the key properties of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide is sourced from PubChem (CID 35541317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).