N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide

C24H27N3O3S — CID 30798285

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NCCc1cccs1
InChIInChI=1S/C24H27N3O3S/c28-23(25-12-11-22-4-2-14-31-22)17-27(16-21-3-1-13-30-21)15-18-5-7-19(8-6-18)24(29)26-20-9-10-20/h1-8,13-14,20H,9-12,15-17H2,(H,25,28)(H,26,29)
InChIKeyPWIGPWFSDVBOMF-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.59
Rot. Bonds11

About N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide (PubChem CID 30798285) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
PubChem CID30798285
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NCCc1cccs1
InChIInChI=1S/C24H27N3O3S/c28-23(25-12-11-22-4-2-14-31-22)17-27(16-21-3-1-13-30-21)15-18-5-7-19(8-6-18)24(29)26-20-9-10-20/h1-8,13-14,20H,9-12,15-17H2,(H,25,28)(H,26,29)
InChIKeyPWIGPWFSDVBOMF-UHFFFAOYSA-N
XLogP3.59
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17426015
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide (CID 30798285) is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide is O=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NCCc1cccs1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide?
The InChIKey is PWIGPWFSDVBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-23(25-12-11-22-4-2-14-31-22)17-27(16-21-3-1-13-30-21)15-18-5-7-19(8-6-18)24(29)26-20-9-10-20/h1-8,13-14,20H,9-12,15-17H2,(H,25,28)(H,26,29).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 3.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 30798285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).