ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate

C21H27N3O5S — CID 42898080

IUPACethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C21H27N3O5S/c1-3-29-18(26)16-14(13-7-8-13)11-30-17(16)22-15(25)10-24-19(27)21(23-20(24)28)9-5-4-6-12(21)2/h11-13H,3-10H2,1-2H3,(H,22,25)(H,23,28)
InChIKeyANXQJDWIMUNXCW-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.24
Rot. Bonds6

About ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 42898080) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID42898080
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Nameethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C21H27N3O5S/c1-3-29-18(26)16-14(13-7-8-13)11-30-17(16)22-15(25)10-24-19(27)21(23-20(24)28)9-5-4-6-12(21)2/h11-13H,3-10H2,1-2H3,(H,22,25)(H,23,28)
InChIKeyANXQJDWIMUNXCW-UHFFFAOYSA-N
XLogP3.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

CID 2109826
CID 2109826
CID 2449412
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CID 2486500
CID 2486500
CID 2574444
CID 2574444
CID 3932797
CID 3932797
CID 3966276
CID 3966276
CID 4260589
CID 4260589
CID 7994020
CID 7994020
CID 24979143
CID 24979143
CID 7557987
CID 7557987
CID 24980010
CID 24980010
CID 24980742
CID 24980742

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate (CID 42898080) is ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ANXQJDWIMUNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-3-29-18(26)16-14(13-7-8-13)11-30-17(16)22-15(25)10-24-19(27)21(23-20(24)28)9-5-4-6-12(21)2/h11-13H,3-10H2,1-2H3,(H,22,25)(H,23,28).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 433.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 42898080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).