N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H17N3O4S — CID 154793364

IUPACN-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C14H17N3O4S/c1-9(15-11(18)10-4-3-5-22-10)12(19)17-7-14(8-17)6-16(2)13(20)21-14/h3-5,9H,6-8H2,1-2H3,(H,15,18)
InChIKeyBPWNBXCBVCAIMK-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.53
Rot. Bonds3

About N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 154793364) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID154793364
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C14H17N3O4S/c1-9(15-11(18)10-4-3-5-22-10)12(19)17-7-14(8-17)6-16(2)13(20)21-14/h3-5,9H,6-8H2,1-2H3,(H,15,18)
InChIKeyBPWNBXCBVCAIMK-UHFFFAOYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1263443
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N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 102934059
N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide
CID 127897418
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
(3R,4R)-4-cyclopropyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979034
N-[3-methyl-1-oxo-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 86926544
N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71943345
N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 134021620
N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 154793364) is N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N1CC2(CN(C)C(=O)O2)C1.
What is the InChIKey of N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is BPWNBXCBVCAIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9(15-11(18)10-4-3-5-22-10)12(19)17-7-14(8-17)6-16(2)13(20)21-14/h3-5,9H,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 154793364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).