N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide

C12H18N2O3S — CID 86799348

IUPACN-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1ccoc1C
InChIInChI=1S/C12H18N2O3S/c1-3-4-6-13-12(16)14-11(15)8-18-10-5-7-17-9(10)2/h5,7H,3-4,6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyCLWDWGMHXVOQGC-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.31
Rot. Bonds6

About N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide

N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide (PubChem CID 86799348) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
PubChem CID86799348
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1ccoc1C
InChIInChI=1S/C12H18N2O3S/c1-3-4-6-13-12(16)14-11(15)8-18-10-5-7-17-9(10)2/h5,7H,3-4,6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyCLWDWGMHXVOQGC-UHFFFAOYSA-N
XLogP2.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869
2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122136491
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419
N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 86799328
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238214
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide
CID 27965834
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756602
2-[2-[2-(butylcarbamoylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 45395772
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 8789742

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide (CID 86799348) is N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1ccoc1C.
What is the InChIKey of N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
The InChIKey is CLWDWGMHXVOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-4-6-13-12(16)14-11(15)8-18-10-5-7-17-9(10)2/h5,7H,3-4,6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide?
N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide has a molecular weight of 270.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide is sourced from PubChem (CID 86799348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).