[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone

C19H24N2O3S — CID 134021901

IUPAC[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESCCCc1sc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1CC
InChIInChI=1S/C19H24N2O3S/c1-3-5-16-14(4-2)12-17(25-16)19(23)21-9-7-20(8-10-21)18(22)15-6-11-24-13-15/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeyNWBVTTYXKVVACZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.45
Rot. Bonds5

About [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone

[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 134021901) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID134021901
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESCCCc1sc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1CC
InChIInChI=1S/C19H24N2O3S/c1-3-5-16-14(4-2)12-17(25-16)19(23)21-9-7-20(8-10-21)18(22)15-6-11-24-13-15/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeyNWBVTTYXKVVACZ-UHFFFAOYSA-N
XLogP3.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 896042
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylfuran-3-yl)methanone
CID 17524799
[4-[(3-Chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 17525339
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(furan-2-yl)propanamide
CID 42957054
4-({5-[1-(2-Methyl-3-furoyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)morpholine
CID 45191007
1-(3-Furoyl)-4-{[5-(2-pyrrolidinyl)-2-thienyl]carbonyl}-1,4-diazepane
CID 45207120
N-(3-furylmethyl)-5-[1-(tetrahydro-2H-pyran-4-ylmethyl)-2-pyrrolidinyl]-2-thiophenecarboxamide
CID 45233422
4-({5-[1-(3-Furoyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)morpholine
CID 45251998
N-(3-furylmethyl)-5-(1-glycyl-2-pyrrolidinyl)-2-thiophenecarboxamide
CID 45252512
N-ethyl-3-methyl-1-(2-methyl-5-thiophen-2-ylfuran-3-carbonyl)piperidine-3-carboxamide
CID 46948495
(2-Methylfuran-3-yl)-[2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449414
(2-Methylfuran-3-yl)-[9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 118743474

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone (CID 134021901) is [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone is CCCc1sc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1CC.
What is the InChIKey of [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is NWBVTTYXKVVACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-5-16-14(4-2)12-17(25-16)19(23)21-9-7-20(8-10-21)18(22)15-6-11-24-13-15/h6,11-13H,3-5,7-10H2,1-2H3.
What are the key properties of [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone?
[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 134021901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).