ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate

C24H28FN3O4S — CID 55840542

IUPACethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C24H28FN3O4S/c1-3-32-24(31)21-18(16-6-7-16)14-33-22(21)26-20(29)13-27-8-10-28(11-9-27)23(30)17-5-4-15(2)19(25)12-17/h4-5,12,14,16H,3,6-11,13H2,1-2H3,(H,26,29)
InChIKeyLDJCBHMUCAGJSW-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.65
Rot. Bonds7

About ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 55840542) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID55840542
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Nameethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C24H28FN3O4S/c1-3-32-24(31)21-18(16-6-7-16)14-33-22(21)26-20(29)13-27-8-10-28(11-9-27)23(30)17-5-4-15(2)19(25)12-17/h4-5,12,14,16H,3,6-11,13H2,1-2H3,(H,26,29)
InChIKeyLDJCBHMUCAGJSW-UHFFFAOYSA-N
XLogP3.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-cyclopropyl-2-[[2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55865590
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 4-cyclopropyl-2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55849862
ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931147
ethyl 4-cyclopropyl-2-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxylate
CID 8898976
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
ethyl 4-cyclopropyl-2-[[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55845490
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671
N-(3-chloro-4-fluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 52683910
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate (CID 55840542) is ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is LDJCBHMUCAGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-3-32-24(31)21-18(16-6-7-16)14-33-22(21)26-20(29)13-27-8-10-28(11-9-27)23(30)17-5-4-15(2)19(25)12-17/h4-5,12,14,16H,3,6-11,13H2,1-2H3,(H,26,29).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 473.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55840542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).