2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide

C16H19N3O3S — CID 56785440

IUPAC2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide
SMILESCSCc1cccc(NC(=O)CNC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19N3O3S/c1-23-11-12-4-2-5-13(8-12)19-15(20)10-18-16(21)17-9-14-6-3-7-22-14/h2-8H,9-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQWAHKKUQACFKCW-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds7

About 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide

2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide (PubChem CID 56785440) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide
PubChem CID56785440
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide
SMILESCSCc1cccc(NC(=O)CNC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19N3O3S/c1-23-11-12-4-2-5-13(8-12)19-15(20)10-18-16(21)17-9-14-6-3-7-22-14/h2-8H,9-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQWAHKKUQACFKCW-UHFFFAOYSA-N
XLogP2.58
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
CID 134050575
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 18096587
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 90681433

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide (CID 56785440) is 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide is CSCc1cccc(NC(=O)CNC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide?
The InChIKey is QWAHKKUQACFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23-11-12-4-2-5-13(8-12)19-15(20)10-18-16(21)17-9-14-6-3-7-22-14/h2-8H,9-11H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide?
2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 56785440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).