N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide

C24H32N2O3S — CID 112804112

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1CC
InChIInChI=1S/C24H32N2O3S/c1-4-7-21-17(5-2)16-22(30-21)23(27)25-19-12-14-26(15-13-19)24(28)18-8-10-20(11-9-18)29-6-3/h8-11,16,19H,4-7,12-15H2,1-3H3,(H,25,27)
InChIKeyIGXUNZAJLXUJHX-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.70
Rot. Bonds8

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 112804112) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID112804112
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1CC
InChIInChI=1S/C24H32N2O3S/c1-4-7-21-17(5-2)16-22(30-21)23(27)25-19-12-14-26(15-13-19)24(28)18-8-10-20(11-9-18)29-6-3/h8-11,16,19H,4-7,12-15H2,1-3H3,(H,25,27)
InChIKeyIGXUNZAJLXUJHX-UHFFFAOYSA-N
XLogP4.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 112804110
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112804142
4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
CID 47114418
4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46532852
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-nitrothiophene-3-carboxamide
CID 112834504
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide (CID 112804112) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1CC.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is IGXUNZAJLXUJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-4-7-21-17(5-2)16-22(30-21)23(27)25-19-12-14-26(15-13-19)24(28)18-8-10-20(11-9-18)29-6-3/h8-11,16,19H,4-7,12-15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 112804112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).