N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C22H27N3O3S — CID 30599068

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1
InChIInChI=1S/C22H27N3O3S/c1-15-19(16(2)28-24-15)14-27-18-9-7-17(8-10-18)12-22(26)23-13-20(25(3)4)21-6-5-11-29-21/h5-11,20H,12-14H2,1-4H3,(H,23,26)/t20-/m1/s1
InChIKeyVZDPWKSKGUQXCT-HXUWFJFHSA-N
MW413.54 g/mol
LogP3.89
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 30599068) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID30599068
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1
InChIInChI=1S/C22H27N3O3S/c1-15-19(16(2)28-24-15)14-27-18-9-7-17(8-10-18)12-22(26)23-13-20(25(3)4)21-6-5-11-29-21/h5-11,20H,12-14H2,1-4H3,(H,23,26)/t20-/m1/s1
InChIKeyVZDPWKSKGUQXCT-HXUWFJFHSA-N
XLogP3.89
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78772602
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 43045627
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 30861007
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 43057556
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 4785185
ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate
CID 46480632

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 30599068) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is VZDPWKSKGUQXCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15-19(16(2)28-24-15)14-27-18-9-7-17(8-10-18)12-22(26)23-13-20(25(3)4)21-6-5-11-29-21/h5-11,20H,12-14H2,1-4H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 413.54 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 30599068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).