N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide

C16H26N4O5S — CID 47023476

IUPACN-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H26N4O5S/c1-17(13-15-3-2-10-25-15)16(21)14-18-4-6-19(7-5-18)26(22,23)20-8-11-24-12-9-20/h2-3,10H,4-9,11-14H2,1H3
InChIKeyKHKCDYMJJDXYQK-UHFFFAOYSA-N
MW386.47 g/mol
LogP-0.57
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide

N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 47023476) has the molecular formula C16H26N4O5S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID47023476
Molecular FormulaC16H26N4O5S
Molecular Weight386.47 g/mol
Exact Mass386.16
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H26N4O5S/c1-17(13-15-3-2-10-25-15)16(21)14-18-4-6-19(7-5-18)26(22,23)20-8-11-24-12-9-20/h2-3,10H,4-9,11-14H2,1H3
InChIKeyKHKCDYMJJDXYQK-UHFFFAOYSA-N
XLogP-0.57
TPSA86.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78819072
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792851
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 78793293
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 128982821
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide (CID 47023476) is N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide is CN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is KHKCDYMJJDXYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O5S/c1-17(13-15-3-2-10-25-15)16(21)14-18-4-6-19(7-5-18)26(22,23)20-8-11-24-12-9-20/h2-3,10H,4-9,11-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 386.47 g/mol, XLogP of -0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 47023476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).