N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C15H18N4O2S — CID 167837268

IUPACN-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)n1cccc1)NN1CCCNC1=O
InChIInChI=1S/C15H18N4O2S/c20-14(17-19-9-4-6-16-15(19)21)11-12(13-5-3-10-22-13)18-7-1-2-8-18/h1-3,5,7-8,10,12H,4,6,9,11H2,(H,16,21)(H,17,20)
InChIKeyDQTCACNNIFZPND-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.98
Rot. Bonds5

About N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 167837268) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID167837268
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)n1cccc1)NN1CCCNC1=O
InChIInChI=1S/C15H18N4O2S/c20-14(17-19-9-4-6-16-15(19)21)11-12(13-5-3-10-22-13)18-7-1-2-8-18/h1-3,5,7-8,10,12H,4,6,9,11H2,(H,16,21)(H,17,20)
InChIKeyDQTCACNNIFZPND-UHFFFAOYSA-N
XLogP1.98
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708926
N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342482
N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342493
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 102562849
(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
CID 92708934
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
(4R)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078923

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 167837268) is N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)n1cccc1)NN1CCCNC1=O.
What is the InChIKey of N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is DQTCACNNIFZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-14(17-19-9-4-6-16-15(19)21)11-12(13-5-3-10-22-13)18-7-1-2-8-18/h1-3,5,7-8,10,12H,4,6,9,11H2,(H,16,21)(H,17,20).
What are the key properties of N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 167837268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).