5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

C19H22N2O3S — CID 59777072

IUPAC5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)/C=C/N(C)C)s2)c1
InChIInChI=1S/C19H22N2O3S/c1-21(2)12-10-16(22)17-7-8-18(25-17)19(23)20-11-9-14-5-4-6-15(13-14)24-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,23)/b12-10+
InChIKeyGURBYHZEVISAPF-ZRDIBKRKSA-N
MW358.46 g/mol
LogP2.99
Rot. Bonds8

About 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 59777072) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID59777072
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)/C=C/N(C)C)s2)c1
InChIInChI=1S/C19H22N2O3S/c1-21(2)12-10-16(22)17-7-8-18(25-17)19(23)20-11-9-14-5-4-6-15(13-14)24-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,23)/b12-10+
InChIKeyGURBYHZEVISAPF-ZRDIBKRKSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(dimethylamino)prop-2-enoyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 72558860
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-4-nitrothiophene-2-carboxamide
CID 112529619
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 59777072) is 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(C(=O)/C=C/N(C)C)s2)c1.
What is the InChIKey of 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is GURBYHZEVISAPF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(2)12-10-16(22)17-7-8-18(25-17)19(23)20-11-9-14-5-4-6-15(13-14)24-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,23)/b12-10+.
What are the key properties of 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 59777072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).