(E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide

C17H26N2O4S — CID 92671299

IUPAC(E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
SMILESCN(Cc1ccc(/C=C/C(=O)NC2CCCCCC2)o1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-19(24(2,21)22)13-16-10-9-15(23-16)11-12-17(20)18-14-7-5-3-4-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)/b12-11+
InChIKeyRPHMTPNMGINODZ-VAWYXSNFSA-N
MW354.47 g/mol
LogP2.52
Rot. Bonds6

About (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide

(E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide (PubChem CID 92671299) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
PubChem CID92671299
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
SMILESCN(Cc1ccc(/C=C/C(=O)NC2CCCCCC2)o1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-19(24(2,21)22)13-16-10-9-15(23-16)11-12-17(20)18-14-7-5-3-4-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)/b12-11+
InChIKeyRPHMTPNMGINODZ-VAWYXSNFSA-N
XLogP2.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 92671335
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-N-(2,5-dichlorophenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671353
(E)-N-(5-chloro-2-methoxyphenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671381
[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
CID 133225233
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(E)-N-cyclohexyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
CID 51370901
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26877417
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542271
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide (CID 92671299) is (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide is CN(Cc1ccc(/C=C/C(=O)NC2CCCCCC2)o1)S(C)(=O)=O.
What is the InChIKey of (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide?
The InChIKey is RPHMTPNMGINODZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-19(24(2,21)22)13-16-10-9-15(23-16)11-12-17(20)18-14-7-5-3-4-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)/b12-11+.
What are the key properties of (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide?
(E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide has a molecular weight of 354.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cycloheptyl-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 92671299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).