2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C19H30N2O2S — CID 1350739

IUPAC2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(NC(=O)CC)sc2c1CCCCC2
InChIInChI=1S/C19H30N2O2S/c1-4-12-21(13-5-2)19(23)17-14-10-8-7-9-11-15(14)24-18(17)20-16(22)6-3/h4-13H2,1-3H3,(H,20,22)
InChIKeyPVIRPRRLTXDTGE-UHFFFAOYSA-N
MW350.53 g/mol
LogP4.63
Rot. Bonds7

About 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 1350739) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID1350739
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(NC(=O)CC)sc2c1CCCCC2
InChIInChI=1S/C19H30N2O2S/c1-4-12-21(13-5-2)19(23)17-14-10-8-7-9-11-15(14)24-18(17)20-16(22)6-3/h4-13H2,1-3H3,(H,20,22)
InChIKeyPVIRPRRLTXDTGE-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 1350739) is 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is CCCN(CCC)C(=O)c1c(NC(=O)CC)sc2c1CCCCC2.
What is the InChIKey of 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is PVIRPRRLTXDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-4-12-21(13-5-2)19(23)17-14-10-8-7-9-11-15(14)24-18(17)20-16(22)6-3/h4-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1350739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).