(E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide

C20H26N2O3S — CID 49342808

IUPAC(E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C20H26N2O3S/c1-21(20(16-6-7-16)17-8-9-17)19(23)12-5-15-3-10-18(11-4-15)22-13-2-14-26(22,24)25/h3-5,10-12,16-17,20H,2,6-9,13-14H2,1H3/b12-5+
InChIKeySIIXEKMGOVNFCM-LFYBBSHMSA-N
MW374.51 g/mol
LogP2.89
Rot. Bonds6

About (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide

(E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide (PubChem CID 49342808) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide
PubChem CID49342808
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C20H26N2O3S/c1-21(20(16-6-7-16)17-8-9-17)19(23)12-5-15-3-10-18(11-4-15)22-13-2-14-26(22,24)25/h3-5,10-12,16-17,20H,2,6-9,13-14H2,1H3/b12-5+
InChIKeySIIXEKMGOVNFCM-LFYBBSHMSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
CID 57367642
(E)-N-cyclopropyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(4-ethylcyclohexyl)prop-2-enamide
CID 55593949
(E)-1-(azepan-1-yl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-en-1-one
CID 31243001
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 51333727
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 134018006
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide
CID 38012545
(E)-N-(3,3-dimethylbutyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 34711316
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55510870
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-propan-2-yl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 55992486
(E)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 129377387
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenylpyrrolidin-1-yl)prop-2-en-1-one
CID 42937217
[2-(cyclopropylamino)-2-oxoethyl] 3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoate
CID 71899190

Frequently Asked Questions

What is the IUPAC name of (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide (CID 49342808) is (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1)C(C1CC1)C1CC1.
What is the InChIKey of (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide?
The InChIKey is SIIXEKMGOVNFCM-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-21(20(16-6-7-16)17-8-9-17)19(23)12-5-15-3-10-18(11-4-15)22-13-2-14-26(22,24)25/h3-5,10-12,16-17,20H,2,6-9,13-14H2,1H3/b12-5+.
What are the key properties of (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide?
(E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide has a molecular weight of 374.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(dicyclopropylmethyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 49342808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).