N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide

C16H19NO2S — CID 107024425

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide
SMILESCc1occc1CN(C)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-12-14(8-9-19-12)11-17(2)16(18)15(20)10-13-6-4-3-5-7-13/h3-9,15,20H,10-11H2,1-2H3
InChIKeyGQVWQOANYOOCCS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds5

About N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide

N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide (PubChem CID 107024425) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide
PubChem CID107024425
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide
SMILESCc1occc1CN(C)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-12-14(8-9-19-12)11-17(2)16(18)15(20)10-13-6-4-3-5-7-13/h3-9,15,20H,10-11H2,1-2H3
InChIKeyGQVWQOANYOOCCS-UHFFFAOYSA-N
XLogP3.09
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877910
N-[(4-bromophenyl)methyl]-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107024282
3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 62729105
(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 166302742
N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032185
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
(E)-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 82238971
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide (CID 107024425) is N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide is Cc1occc1CN(C)C(=O)C(S)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide?
The InChIKey is GQVWQOANYOOCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-14(8-9-19-12)11-17(2)16(18)15(20)10-13-6-4-3-5-7-13/h3-9,15,20H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide?
N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107024425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).