N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

C21H20N2O4S — CID 22516725

IUPACN-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCCN(C(=O)c1noc2c1CSc1ccccc1-2)c1cc(OC)ccc1OC
InChIInChI=1S/C21H20N2O4S/c1-4-23(16-11-13(25-2)9-10-17(16)26-3)21(24)19-15-12-28-18-8-6-5-7-14(18)20(15)27-22-19/h5-11H,4,12H2,1-3H3
InChIKeyTXNSSKSCSONINB-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.63
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 22516725) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID22516725
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCCN(C(=O)c1noc2c1CSc1ccccc1-2)c1cc(OC)ccc1OC
InChIInChI=1S/C21H20N2O4S/c1-4-23(16-11-13(25-2)9-10-17(16)26-3)21(24)19-15-12-28-18-8-6-5-7-14(18)20(15)27-22-19/h5-11H,4,12H2,1-3H3
InChIKeyTXNSSKSCSONINB-UHFFFAOYSA-N
XLogP4.63
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 6623807
8-methoxy-N,N-dipropyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087270
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271728
N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 131841617
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
CID 1138516
N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3244223
N-benzyl-N-[2-(diethylamino)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070724
N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943610
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551069
N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516787
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3240737
N-(2,5-dimethoxyphenyl)-N-(trimethylsilyloxymethyl)acetamide
CID 10685433

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 22516725) is N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is CCN(C(=O)c1noc2c1CSc1ccccc1-2)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is TXNSSKSCSONINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-4-23(16-11-13(25-2)9-10-17(16)26-3)21(24)19-15-12-28-18-8-6-5-7-14(18)20(15)27-22-19/h5-11H,4,12H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 22516725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).