N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C16H17ClN2O3S — CID 78784190

IUPACN-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H17ClN2O3S/c1-19(8-9-22-13-6-4-12(17)5-7-13)15(20)11-18-16(21)14-3-2-10-23-14/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyURTFSCLIMYCTFG-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.67
Rot. Bonds7

About N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 78784190) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID78784190
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H17ClN2O3S/c1-19(8-9-22-13-6-4-12(17)5-7-13)15(20)11-18-16(21)14-3-2-10-23-14/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyURTFSCLIMYCTFG-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55758053
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18119353
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18093718
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 7972132

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 78784190) is N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is URTFSCLIMYCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(8-9-22-13-6-4-12(17)5-7-13)15(20)11-18-16(21)14-3-2-10-23-14/h2-7,10H,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 78784190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).