N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide

C19H28N2O4S — CID 72689467

IUPACN-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)C=Cc2ccc(C3CC3C)o2)CC1
InChIInChI=1S/C19H28N2O4S/c1-4-26(23,24)20(3)15-9-11-21(12-10-15)19(22)8-6-16-5-7-18(25-16)17-13-14(17)2/h5-8,14-15,17H,4,9-13H2,1-3H3
InChIKeyNGTFPZZGVDAEPG-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.69
Rot. Bonds6

About N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide

N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 72689467) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide
PubChem CID72689467
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)C=Cc2ccc(C3CC3C)o2)CC1
InChIInChI=1S/C19H28N2O4S/c1-4-26(23,24)20(3)15-9-11-21(12-10-15)19(22)8-6-16-5-7-18(25-16)17-13-14(17)2/h5-8,14-15,17H,4,9-13H2,1-3H3
InChIKeyNGTFPZZGVDAEPG-UHFFFAOYSA-N
XLogP2.69
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide (CID 72689467) is N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C(=O)C=Cc2ccc(C3CC3C)o2)CC1.
What is the InChIKey of N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is NGTFPZZGVDAEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-4-26(23,24)20(3)15-9-11-21(12-10-15)19(22)8-6-16-5-7-18(25-16)17-13-14(17)2/h5-8,14-15,17H,4,9-13H2,1-3H3.
What are the key properties of N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 72689467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).