N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide

C21H26N2O4S — CID 56581671

IUPACN-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1C1(CNC(=O)CNC(=O)c2ccsc2)CCOCC1
InChIInChI=1S/C21H26N2O4S/c1-15-3-4-18(26-2)17(11-15)21(6-8-27-9-7-21)14-23-19(24)12-22-20(25)16-5-10-28-13-16/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFQSXYSCCBMPBIO-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.66
Rot. Bonds7

About N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 56581671) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID56581671
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1C1(CNC(=O)CNC(=O)c2ccsc2)CCOCC1
InChIInChI=1S/C21H26N2O4S/c1-15-3-4-18(26-2)17(11-15)21(6-8-27-9-7-21)14-23-19(24)12-22-20(25)16-5-10-28-13-16/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFQSXYSCCBMPBIO-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86783814
5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
CID 56581644
cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124686138
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740061
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 56548263
1-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110980042
(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide
CID 52503767
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17498578
1-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111940479

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide (CID 56581671) is N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide is COc1ccc(C)cc1C1(CNC(=O)CNC(=O)c2ccsc2)CCOCC1.
What is the InChIKey of N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is FQSXYSCCBMPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-3-4-18(26-2)17(11-15)21(6-8-27-9-7-21)14-23-19(24)12-22-20(25)16-5-10-28-13-16/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 56581671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).