N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide

C25H26N2O3S — CID 46046581

IUPACN-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-5-2-3-6-21(19)18-27(25(29)23-7-4-16-31-23)22-10-8-20(9-11-22)17-24(28)26-12-14-30-15-13-26/h2-11,16H,12-15,17-18H2,1H3
InChIKeyQNLZKCPDCKIWCX-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.30
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide

N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide (PubChem CID 46046581) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide
PubChem CID46046581
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-5-2-3-6-21(19)18-27(25(29)23-7-4-16-31-23)22-10-8-20(9-11-22)17-24(28)26-12-14-30-15-13-26/h2-11,16H,12-15,17-18H2,1H3
InChIKeyQNLZKCPDCKIWCX-UHFFFAOYSA-N
XLogP4.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide (CID 46046581) is N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide is Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is QNLZKCPDCKIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19-5-2-3-6-21(19)18-27(25(29)23-7-4-16-31-23)22-10-8-20(9-11-22)17-24(28)26-12-14-30-15-13-26/h2-11,16H,12-15,17-18H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide?
N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46046581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).