N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide

C17H29N3O4S — CID 70752311

IUPACN-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C17H29N3O4S/c1-14(21)18-10-9-15-6-4-5-11-20(15)13-17-8-7-16(24-17)12-19(2)25(3,22)23/h7-8,15H,4-6,9-13H2,1-3H3,(H,18,21)
InChIKeyUNZWHBBPNAKSHZ-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.55
Rot. Bonds8

About N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 70752311) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID70752311
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C17H29N3O4S/c1-14(21)18-10-9-15-6-4-5-11-20(15)13-17-8-7-16(24-17)12-19(2)25(3,22)23/h7-8,15H,4-6,9-13H2,1-3H3,(H,18,21)
InChIKeyUNZWHBBPNAKSHZ-UHFFFAOYSA-N
XLogP1.55
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70744666
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 156609414
methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78899376
N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 25383210
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
N-[2-[(2R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632162
3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide (CID 70752311) is N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1Cc1ccc(CN(C)S(C)(=O)=O)o1.
What is the InChIKey of N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is UNZWHBBPNAKSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-14(21)18-10-9-15-6-4-5-11-20(15)13-17-8-7-16(24-17)12-19(2)25(3,22)23/h7-8,15H,4-6,9-13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 371.50 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70752311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).