[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

C24H28N4O5S — CID 39413564

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1C
InChIInChI=1S/C24H28N4O5S/c1-15-16(2)34-22(26-21(30)17-8-9-17)20(15)23(31)33-14-19(29)27-10-12-28(13-11-27)24(32)25-18-6-4-3-5-7-18/h3-7,17H,8-14H2,1-2H3,(H,25,32)(H,26,30)
InChIKeyAFGMPKGMUMAHEC-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.25
Rot. Bonds6

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 39413564) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID39413564
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1C
InChIInChI=1S/C24H28N4O5S/c1-15-16(2)34-22(26-21(30)17-8-9-17)20(15)23(31)33-14-19(29)27-10-12-28(13-11-27)24(32)25-18-6-4-3-5-7-18/h3-7,17H,8-14H2,1-2H3,(H,25,32)(H,26,30)
InChIKeyAFGMPKGMUMAHEC-UHFFFAOYSA-N
XLogP3.25
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2700889
methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7634585
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
CID 27212790
[2-[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 51486467
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 24522199
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromothiophene-2-carboxylate
CID 27263141
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
CID 55443494
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 27213504
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 17423220

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate (CID 39413564) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate is Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1C.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is AFGMPKGMUMAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-15-16(2)34-22(26-21(30)17-8-9-17)20(15)23(31)33-14-19(29)27-10-12-28(13-11-27)24(32)25-18-6-4-3-5-7-18/h3-7,17H,8-14H2,1-2H3,(H,25,32)(H,26,30).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 484.58 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 39413564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).