2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide

C19H25N3O4S — CID 35317281

IUPAC2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide
SMILESC[C@H]1CCCN(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C1
InChIInChI=1S/C19H25N3O4S/c1-16-7-5-11-21(13-16)27(24,25)22(14-18-10-6-12-26-18)15-19(23)20-17-8-3-2-4-9-17/h2-4,6,8-10,12,16H,5,7,11,13-15H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyOFEALPSEMDPPKK-INIZCTEOSA-N
MW391.49 g/mol
LogP2.70
Rot. Bonds7

About 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide

2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide (PubChem CID 35317281) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide
PubChem CID35317281
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide
SMILESC[C@H]1CCCN(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C1
InChIInChI=1S/C19H25N3O4S/c1-16-7-5-11-21(13-16)27(24,25)22(14-18-10-6-12-26-18)15-19(23)20-17-8-3-2-4-9-17/h2-4,6,8-10,12,16H,5,7,11,13-15H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyOFEALPSEMDPPKK-INIZCTEOSA-N
XLogP2.70
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
CID 3202218
2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 98104599
(3R)-N-(2-anilino-2-oxoethyl)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 51933799
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-4-oxobutyl]furan-2-carboxamide
CID 29443018
N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
CID 42920707
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide
CID 98753910
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 78829146
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide (CID 35317281) is 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide is C[C@H]1CCCN(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C1.
What is the InChIKey of 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide?
The InChIKey is OFEALPSEMDPPKK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-16-7-5-11-21(13-16)27(24,25)22(14-18-10-6-12-26-18)15-19(23)20-17-8-3-2-4-9-17/h2-4,6,8-10,12,16H,5,7,11,13-15H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide?
2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide has a molecular weight of 391.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 35317281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).