N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide

C19H23ClN2O2S — CID 46412315

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)sc1C
InChIInChI=1S/C19H23ClN2O2S/c1-13-11-18(25-14(13)2)19(23)21-12-17(22-7-9-24-10-8-22)15-5-3-4-6-16(15)20/h3-6,11,17H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyMXSOWNJUBQKNPO-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 46412315) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID46412315
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)sc1C
InChIInChI=1S/C19H23ClN2O2S/c1-13-11-18(25-14(13)2)19(23)21-12-17(22-7-9-24-10-8-22)15-5-3-4-6-16(15)20/h3-6,11,17H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyMXSOWNJUBQKNPO-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide (CID 46412315) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)sc1C.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is MXSOWNJUBQKNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-13-11-18(25-14(13)2)19(23)21-12-17(22-7-9-24-10-8-22)15-5-3-4-6-16(15)20/h3-6,11,17H,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 46412315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).