N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C25H27N3O4S — CID 39042400

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1
InChIInChI=1S/C25H27N3O4S/c1-2-26-23(29)17-32-20-10-6-9-19(15-20)27-24(30)22-16-21(18-7-4-3-5-8-18)25(33-22)28-11-13-31-14-12-28/h3-10,15-16H,2,11-14,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyYIFNCWYUIJOTLT-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.02
Rot. Bonds8

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 39042400) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID39042400
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1
InChIInChI=1S/C25H27N3O4S/c1-2-26-23(29)17-32-20-10-6-9-19(15-20)27-24(30)22-16-21(18-7-4-3-5-8-18)25(33-22)28-11-13-31-14-12-28/h3-10,15-16H,2,11-14,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyYIFNCWYUIJOTLT-UHFFFAOYSA-N
XLogP4.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 39042400) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CCNC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is YIFNCWYUIJOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-2-26-23(29)17-32-20-10-6-9-19(15-20)27-24(30)22-16-21(18-7-4-3-5-8-18)25(33-22)28-11-13-31-14-12-28/h3-10,15-16H,2,11-14,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 39042400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).