N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide

C22H23N3O3S — CID 17426015

IUPACN-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H23N3O3S/c26-21(24-20-8-2-1-7-19(20)22(27)23-16-9-10-16)15-25(13-17-5-3-11-28-17)14-18-6-4-12-29-18/h1-8,11-12,16H,9-10,13-15H2,(H,23,27)(H,24,26)
InChIKeyRIYODFWIAJGZII-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.87
Rot. Bonds9

About N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide (PubChem CID 17426015) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
PubChem CID17426015
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H23N3O3S/c26-21(24-20-8-2-1-7-19(20)22(27)23-16-9-10-16)15-25(13-17-5-3-11-28-17)14-18-6-4-12-29-18/h1-8,11-12,16H,9-10,13-15H2,(H,23,27)(H,24,26)
InChIKeyRIYODFWIAJGZII-UHFFFAOYSA-N
XLogP3.87
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17449333
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
CID 24574934
N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223
N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678198
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide (CID 17426015) is N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide is O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The InChIKey is RIYODFWIAJGZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-21(24-20-8-2-1-7-19(20)22(27)23-16-9-10-16)15-25(13-17-5-3-11-28-17)14-18-6-4-12-29-18/h1-8,11-12,16H,9-10,13-15H2,(H,23,27)(H,24,26).
What are the key properties of N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 17426015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).