(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C18H19NO2S — CID 134004442

IUPAC(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H19NO2S/c1-21-17-7-3-2-5-14(17)8-11-18(20)19(15-9-10-15)13-16-6-4-12-22-16/h2-8,11-12,15H,9-10,13H2,1H3/b11-8+
InChIKeyTURNAKYKSLLIRJ-DHZHZOJOSA-N
MW313.42 g/mol
LogP3.96
Rot. Bonds6

About (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 134004442) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID134004442
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H19NO2S/c1-21-17-7-3-2-5-14(17)8-11-18(20)19(15-9-10-15)13-16-6-4-12-22-16/h2-8,11-12,15H,9-10,13H2,1H3/b11-8+
InChIKeyTURNAKYKSLLIRJ-DHZHZOJOSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.96
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

(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
trans-(1S,2S)-N-cyclopropyl-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 95142348
(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004593
(E)-3-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 38737797
(E)-N-cyclopropyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 37484166
(E)-3-(2,5-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 9194332
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31840850
(E)-N-cyclopropyl-3-(2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 18198598

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 134004442) is (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is TURNAKYKSLLIRJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-21-17-7-3-2-5-14(17)8-11-18(20)19(15-9-10-15)13-16-6-4-12-22-16/h2-8,11-12,15H,9-10,13H2,1H3/b11-8+.
What are the key properties of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 313.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 134004442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).