N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C12H14N2O4S2 — CID 3242742

IUPACN-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1ccco1
InChIInChI=1S/C12H14N2O4S2/c15-11(13-9-10-3-1-7-18-10)5-6-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,14H,5-6,9H2,(H,13,15)
InChIKeyXQZKNQBOAXKWRH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 3242742) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID3242742
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC NameN-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1ccco1
InChIInChI=1S/C12H14N2O4S2/c15-11(13-9-10-3-1-7-18-10)5-6-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,14H,5-6,9H2,(H,13,15)
InChIKeyXQZKNQBOAXKWRH-UHFFFAOYSA-N
XLogP1.33
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
N-[(5-methyl-2-furyl)methyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3241846
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 663691
1-(2-Furoyl)-4-(2-thienylsulfonyl)piperazine
CID 756358
2-Cyano-N-furan-2-ylmethyl-3-(3-methyl-thiophen-2-yl)-acrylamide
CID 759842
5-bromo-N-(2-furylmethyl)-2-thiophenecarboxamide
CID 1245863

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 3242742) is N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is XQZKNQBOAXKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c15-11(13-9-10-3-1-7-18-10)5-6-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,14H,5-6,9H2,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 3242742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).