N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide

C22H24N2O2S2 — CID 24533168

IUPACN-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H24N2O2S2/c1-16(19-9-6-14-27-19)23(2)21(25)20-15-18(17-7-4-3-5-8-17)22(28-20)24-10-12-26-13-11-24/h3-9,14-16H,10-13H2,1-2H3
InChIKeyZFKJLFKZNVMQBC-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.15
Rot. Bonds5

About N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide

N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 24533168) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID24533168
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC NameN-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H24N2O2S2/c1-16(19-9-6-14-27-19)23(2)21(25)20-15-18(17-7-4-3-5-8-17)22(28-20)24-10-12-26-13-11-24/h3-9,14-16H,10-13H2,1-2H3
InChIKeyZFKJLFKZNVMQBC-UHFFFAOYSA-N
XLogP5.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 24533168) is N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide is CC(c1cccs1)N(C)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is ZFKJLFKZNVMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-16(19-9-6-14-27-19)23(2)21(25)20-15-18(17-7-4-3-5-8-17)22(28-20)24-10-12-26-13-11-24/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-yl-4-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 24533168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).