N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide

C20H25ClN2O3S — CID 112828001

IUPACN-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-20(2,3)19(25)23(5)14-6-8-15(9-7-14)26-13-18(24)22(4)12-16-10-11-17(21)27-16/h6-11H,12-13H2,1-5H3
InChIKeyGGXOEMJQCGDALE-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide

N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 112828001) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
PubChem CID112828001
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-20(2,3)19(25)23(5)14-6-8-15(9-7-14)26-13-18(24)22(4)12-16-10-11-17(21)27-16/h6-11H,12-13H2,1-5H3
InChIKeyGGXOEMJQCGDALE-UHFFFAOYSA-N
XLogP4.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide (CID 112828001) is N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide is CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is GGXOEMJQCGDALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-20(2,3)19(25)23(5)14-6-8-15(9-7-14)26-13-18(24)22(4)12-16-10-11-17(21)27-16/h6-11H,12-13H2,1-5H3.
What are the key properties of N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 408.95 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 112828001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).