N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide

C17H19ClN2O3S — CID 18119353

IUPACN-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C17H19ClN2O3S/c1-20(10-11-23-14-6-3-2-5-13(14)18)16(21)8-9-19-17(22)15-7-4-12-24-15/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyQVHFUJOBBUVRSG-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.06
Rot. Bonds8

About N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 18119353) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID18119353
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C17H19ClN2O3S/c1-20(10-11-23-14-6-3-2-5-13(14)18)16(21)8-9-19-17(22)15-7-4-12-24-15/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyQVHFUJOBBUVRSG-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 31741424
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18093718
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18119370
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 18119353) is N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide is CN(CCOc1ccccc1Cl)C(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is QVHFUJOBBUVRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-20(10-11-23-14-6-3-2-5-13(14)18)16(21)8-9-19-17(22)15-7-4-12-24-15/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 18119353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).