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

C23H25N3O2S — CID 150210535

IUPACN-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H25N3O2S/c1-3-26(4-2)16-18-9-5-6-12-20(18)25-22(27)17-10-7-11-19(15-17)24-23(28)21-13-8-14-29-21/h5-15H,3-4,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyFRJVBTKGXGSSHD-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.09
Rot. Bonds8

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

N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 150210535) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID150210535
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H25N3O2S/c1-3-26(4-2)16-18-9-5-6-12-20(18)25-22(27)17-10-7-11-19(15-17)24-23(28)21-13-8-14-29-21/h5-15H,3-4,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyFRJVBTKGXGSSHD-UHFFFAOYSA-N
XLogP5.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.09
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]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 150210535) is N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is CCN(CC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FRJVBTKGXGSSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-3-26(4-2)16-18-9-5-6-12-20(18)25-22(27)17-10-7-11-19(15-17)24-23(28)21-13-8-14-29-21/h5-15H,3-4,16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 5.09, 8 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]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 150210535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).