N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide

C21H22N2O3S — CID 18090196

IUPACN-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H22N2O3S/c1-16-6-2-3-9-19(16)21(25)22-11-10-20(24)23(14-17-7-4-12-26-17)15-18-8-5-13-27-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,22,25)
InChIKeyHPNGZFFGEANIMU-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.00
Rot. Bonds8

About N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 18090196) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID18090196
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H22N2O3S/c1-16-6-2-3-9-19(16)21(25)22-11-10-20(24)23(14-17-7-4-12-26-17)15-18-8-5-13-27-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,22,25)
InChIKeyHPNGZFFGEANIMU-UHFFFAOYSA-N
XLogP4.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55426338
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913

Frequently Asked Questions

What is the IUPAC name of N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide (CID 18090196) is N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is HPNGZFFGEANIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16-6-2-3-9-19(16)21(25)22-11-10-20(24)23(14-17-7-4-12-26-17)15-18-8-5-13-27-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,22,25).
What are the key properties of N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 382.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 18090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).