ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide

C17H32N2O2S — CID 143287188

IUPACethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide
SMILESCC.CCCCC.NC=O.O=CNc1cc2c(s1)CCCC2
InChIInChI=1S/C9H11NOS.C5H12.C2H6.CH3NO/c11-6-10-9-5-7-3-1-2-4-8(7)12-9;1-3-5-4-2;1-2;2-1-3/h5-6H,1-4H2,(H,10,11);3-5H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyDDOWIXVWUZEICT-UHFFFAOYSA-N
MW328.52 g/mol
LogP4.52
Rot. Bonds4

About ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide

ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide (PubChem CID 143287188) has the molecular formula C17H32N2O2S and a molecular weight of 328.52 g/mol. Its IUPAC name is ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide.

Molecular Properties

Compound Nameethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide
PubChem CID143287188
Molecular FormulaC17H32N2O2S
Molecular Weight328.52 g/mol
Exact Mass328.22
IUPAC Nameethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide
SMILESCC.CCCCC.NC=O.O=CNc1cc2c(s1)CCCC2
InChIInChI=1S/C9H11NOS.C5H12.C2H6.CH3NO/c11-6-10-9-5-7-3-1-2-4-8(7)12-9;1-3-5-4-2;1-2;2-1-3/h5-6H,1-4H2,(H,10,11);3-5H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyDDOWIXVWUZEICT-UHFFFAOYSA-N
XLogP4.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-pentanoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845764
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 14338032
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
(4-butylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43462715
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decan-1-amine
CID 115831741
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
CID 115833589
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
CID 105298347
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
(Z)-3-[(Z)-but-2-enyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hept-5-enamide
CID 143029400

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
The IUPAC name of ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide (CID 143287188) is ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide.
What is the SMILES notation for ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
The canonical SMILES for ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide is CC.CCCCC.NC=O.O=CNc1cc2c(s1)CCCC2.
What is the InChIKey of ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
The InChIKey is DDOWIXVWUZEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS.C5H12.C2H6.CH3NO/c11-6-10-9-5-7-3-1-2-4-8(7)12-9;1-3-5-4-2;1-2;2-1-3/h5-6H,1-4H2,(H,10,11);3-5H2,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide?
ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide has a molecular weight of 328.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;pentane;N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamide is sourced from PubChem (CID 143287188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).