N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C25H21N3O3S — CID 52662597

IUPACN-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)s1)c1ccco1
InChIInChI=1S/C25H21N3O3S/c29-24(21-10-5-15-31-21)27-23-12-11-22(32-23)25(30)26-19-8-3-1-7-18(19)16-28-14-13-17-6-2-4-9-20(17)28/h1-12,15H,13-14,16H2,(H,26,30)(H,27,29)
InChIKeyZISAGQPMOVCSTM-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.41
Rot. Bonds6

About N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 52662597) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID52662597
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)s1)c1ccco1
InChIInChI=1S/C25H21N3O3S/c29-24(21-10-5-15-31-21)27-23-12-11-22(32-23)25(30)26-19-8-3-1-7-18(19)16-28-14-13-17-6-2-4-9-20(17)28/h1-12,15H,13-14,16H2,(H,26,30)(H,27,29)
InChIKeyZISAGQPMOVCSTM-UHFFFAOYSA-N
XLogP5.41
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393
N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33373925
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55896611
N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 39046356
N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 52662597) is N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)s1)c1ccco1.
What is the InChIKey of N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ZISAGQPMOVCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c29-24(21-10-5-15-31-21)27-23-12-11-22(32-23)25(30)26-19-8-3-1-7-18(19)16-28-14-13-17-6-2-4-9-20(17)28/h1-12,15H,13-14,16H2,(H,26,30)(H,27,29).
What are the key properties of N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 52662597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).