(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

C19H26N2O2S — CID 75523575

IUPAC(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCCCc1sc(C(=O)N2CCOCC2c2cccn2C)cc1CC
InChIInChI=1S/C19H26N2O2S/c1-4-7-17-14(5-2)12-18(24-17)19(22)21-10-11-23-13-16(21)15-8-6-9-20(15)3/h6,8-9,12,16H,4-5,7,10-11,13H2,1-3H3
InChIKeyQXJYIPIPFSORFW-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.82
Rot. Bonds5

About (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (PubChem CID 75523575) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
PubChem CID75523575
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCCCc1sc(C(=O)N2CCOCC2c2cccn2C)cc1CC
InChIInChI=1S/C19H26N2O2S/c1-4-7-17-14(5-2)12-18(24-17)19(22)21-10-11-23-13-16(21)15-8-6-9-20(15)3/h6,8-9,12,16H,4-5,7,10-11,13H2,1-3H3
InChIKeyQXJYIPIPFSORFW-UHFFFAOYSA-N
XLogP3.82
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410
1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 86794099
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 86794071
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 75508325
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 138026981
6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 86794079
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 139004982
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (CID 75523575) is (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is CCCc1sc(C(=O)N2CCOCC2c2cccn2C)cc1CC.
What is the InChIKey of (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The InChIKey is QXJYIPIPFSORFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-7-17-14(5-2)12-18(24-17)19(22)21-10-11-23-13-16(21)15-8-6-9-20(15)3/h6,8-9,12,16H,4-5,7,10-11,13H2,1-3H3.
What are the key properties of (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone has a molecular weight of 346.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75523575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).