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

C25H29N3O2S — CID 151081045

IUPACN-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCN(CCC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C25H29N3O2S/c1-3-14-28(15-4-2)18-20-9-5-6-12-22(20)27-24(29)19-10-7-11-21(17-19)26-25(30)23-13-8-16-31-23/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMKCZBZBWURZDEM-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.87
Rot. Bonds10

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

N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 151081045) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID151081045
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCN(CCC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C25H29N3O2S/c1-3-14-28(15-4-2)18-20-9-5-6-12-22(20)27-24(29)19-10-7-11-21(17-19)26-25(30)23-13-8-16-31-23/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMKCZBZBWURZDEM-UHFFFAOYSA-N
XLogP5.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.87
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]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 151081045) is N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is CCCN(CCC)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MKCZBZBWURZDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-3-14-28(15-4-2)18-20-9-5-6-12-22(20)27-24(29)19-10-7-11-21(17-19)26-25(30)23-13-8-16-31-23/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 5.87, 10 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]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 151081045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).