2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C16H23N3O3S — CID 2241030

IUPAC2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2
InChIInChI=1S/C16H23N3O3S/c17-15(21)14-11-4-2-1-3-5-12(11)23-16(14)18-13(20)10-19-6-8-22-9-7-19/h1-10H2,(H2,17,21)(H,18,20)
InChIKeyBHTNEIQFRWKSRZ-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.39
Rot. Bonds4

About 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 2241030) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID2241030
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2
InChIInChI=1S/C16H23N3O3S/c17-15(21)14-11-4-2-1-3-5-12(11)23-16(14)18-13(20)10-19-6-8-22-9-7-19/h1-10H2,(H2,17,21)(H,18,20)
InChIKeyBHTNEIQFRWKSRZ-UHFFFAOYSA-N
XLogP1.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 2241030) is 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2.
What is the InChIKey of 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is BHTNEIQFRWKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-15(21)14-11-4-2-1-3-5-12(11)23-16(14)18-13(20)10-19-6-8-22-9-7-19/h1-10H2,(H2,17,21)(H,18,20).
What are the key properties of 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2241030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).