N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide

C28H33ClN2O5S2 — CID 155579175

IUPACN-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C28H33ClN2O5S2/c1-2-14-36-27-8-5-25(29)19-24(27)20-30(28(32)18-23-10-17-37-21-23)11-9-22-3-6-26(7-4-22)38(33,34)31-12-15-35-16-13-31/h3-8,10,17,19,21H,2,9,11-16,18,20H2,1H3
InChIKeyCVYOPZKUUYJUHO-UHFFFAOYSA-N
MW577.17 g/mol
LogP5.03
Rot. Bonds12

About N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide

N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 155579175) has the molecular formula C28H33ClN2O5S2 and a molecular weight of 577.17 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID155579175
Molecular FormulaC28H33ClN2O5S2
Molecular Weight577.17 g/mol
Exact Mass576.15
IUPAC NameN-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C28H33ClN2O5S2/c1-2-14-36-27-8-5-25(29)19-24(27)20-30(28(32)18-23-10-17-37-21-23)11-9-22-3-6-26(7-4-22)38(33,34)31-12-15-35-16-13-31/h3-8,10,17,19,21H,2,9,11-16,18,20H2,1H3
InChIKeyCVYOPZKUUYJUHO-UHFFFAOYSA-N
XLogP5.03
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.17
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide (CID 155579175) is N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide is CCCOc1ccc(Cl)cc1CN(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is CVYOPZKUUYJUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O5S2/c1-2-14-36-27-8-5-25(29)19-24(27)20-30(28(32)18-23-10-17-37-21-23)11-9-22-3-6-26(7-4-22)38(33,34)31-12-15-35-16-13-31/h3-8,10,17,19,21H,2,9,11-16,18,20H2,1H3.
What are the key properties of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide?
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 577.17 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 155579175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).