N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide

C16H20N2O4S — CID 71846274

IUPACN-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide
SMILESCCS(=O)(=O)NCC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H20N2O4S/c1-2-23(20,21)17-11-16(19)18(13-15-9-6-10-22-15)12-14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3
InChIKeyPDLPNHHVRRNYTC-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.75
Rot. Bonds8

About N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 71846274) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide
PubChem CID71846274
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide
SMILESCCS(=O)(=O)NCC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H20N2O4S/c1-2-23(20,21)17-11-16(19)18(13-15-9-6-10-22-15)12-14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3
InChIKeyPDLPNHHVRRNYTC-UHFFFAOYSA-N
XLogP1.75
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-benzyl-2-[ethylcarbamoyl(propyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4606428
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
diethyl 2-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethylidene]propanedioate
CID 122363253
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide (CID 71846274) is N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide is CCS(=O)(=O)NCC(=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PDLPNHHVRRNYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-2-23(20,21)17-11-16(19)18(13-15-9-6-10-22-15)12-14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3.
What are the key properties of N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 71846274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).