N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H26N2O3S — CID 55748660

IUPACN-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1
InChIInChI=1S/C24H26N2O3S/c1-17(2)29-16-19-9-6-8-18(14-19)15-25-23(27)20-10-4-5-11-21(20)26(3)24(28)22-12-7-13-30-22/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyDFWJXWIYTPWUMT-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.88
Rot. Bonds8

About N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55748660) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55748660
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1
InChIInChI=1S/C24H26N2O3S/c1-17(2)29-16-19-9-6-8-18(14-19)15-25-23(27)20-10-4-5-11-21(20)26(3)24(28)22-12-7-13-30-22/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyDFWJXWIYTPWUMT-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55748660) is N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is CC(C)OCc1cccc(CNC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1.
What is the InChIKey of N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is DFWJXWIYTPWUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17(2)29-16-19-9-6-8-18(14-19)15-25-23(27)20-10-4-5-11-21(20)26(3)24(28)22-12-7-13-30-22/h4-14,17H,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).