N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H27N3O2S — CID 9074003

IUPACN-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H27N3O2S/c1-3-27(4-2)17-20-10-6-5-9-19(20)16-25-23(28)18-11-7-12-21(15-18)26-24(29)22-13-8-14-30-22/h5-15H,3-4,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyKGYMZHTZFBOJSY-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.77
Rot. Bonds9

About N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9074003) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9074003
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H27N3O2S/c1-3-27(4-2)17-20-10-6-5-9-19(20)16-25-23(28)18-11-7-12-21(15-18)26-24(29)22-13-8-14-30-22/h5-15H,3-4,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyKGYMZHTZFBOJSY-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 9074003) is N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KGYMZHTZFBOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-27(4-2)17-20-10-6-5-9-19(20)16-25-23(28)18-11-7-12-21(15-18)26-24(29)22-13-8-14-30-22/h5-15H,3-4,16-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9074003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).