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

C26H31N3O2S — CID 151826414

IUPACN-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCN(CCC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C26H31N3O2S/c1-3-14-29(15-4-2)19-22-10-6-5-9-21(22)18-27-25(30)20-11-7-12-23(17-20)28-26(31)24-13-8-16-32-24/h5-13,16-17H,3-4,14-15,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeySDSCJDCHYKVMHL-UHFFFAOYSA-N
MW449.62 g/mol
LogP5.55
Rot. Bonds11

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

N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 151826414) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID151826414
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC NameN-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCN(CCC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C26H31N3O2S/c1-3-14-29(15-4-2)19-22-10-6-5-9-21(22)18-27-25(30)20-11-7-12-23(17-20)28-26(31)24-13-8-16-32-24/h5-13,16-17H,3-4,14-15,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeySDSCJDCHYKVMHL-UHFFFAOYSA-N
XLogP5.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 151826414) is N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is CCCN(CCC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SDSCJDCHYKVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-3-14-29(15-4-2)19-22-10-6-5-9-21(22)18-27-25(30)20-11-7-12-23(17-20)28-26(31)24-13-8-16-32-24/h5-13,16-17H,3-4,14-15,18-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 5.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 151826414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).