N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

C22H21ClN2O3S — CID 55758053

IUPACN-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-25(12-13-28-19-10-8-18(23)9-11-19)22(27)17-6-4-16(5-7-17)15-24-21(26)20-3-2-14-29-20/h2-11,14H,12-13,15H2,1H3,(H,24,26)
InChIKeyOOJHDAIRUTYKAU-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.48
Rot. Bonds8

About N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55758053) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55758053
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-25(12-13-28-19-10-8-18(23)9-11-19)22(27)17-6-4-16(5-7-17)15-24-21(26)20-3-2-14-29-20/h2-11,14H,12-13,15H2,1H3,(H,24,26)
InChIKeyOOJHDAIRUTYKAU-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-[4-[(thiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247435
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
4-[[[N-[2-(4-chlorophenoxy)ethyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111308175
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-[2-(4-chlorophenoxy)ethyl]-4-(methoxysulfamoyl)-N-methylbenzamide
CID 55834326
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55758053) is N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is OOJHDAIRUTYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-25(12-13-28-19-10-8-18(23)9-11-19)22(27)17-6-4-16(5-7-17)15-24-21(26)20-3-2-14-29-20/h2-11,14H,12-13,15H2,1H3,(H,24,26).
What are the key properties of N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 428.94 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55758053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).