2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H27N3O2S — CID 4081142

IUPAC2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1
InChIInChI=1S/C18H27N3O2S/c1-11(2)21-9-8-13-14(10-21)24-18(15(13)16(19)22)20-17(23)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyAZFQVQKMJIYNSN-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.13
Rot. Bonds4

About 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4081142) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4081142
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1
InChIInChI=1S/C18H27N3O2S/c1-11(2)21-9-8-13-14(10-21)24-18(15(13)16(19)22)20-17(23)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyAZFQVQKMJIYNSN-UHFFFAOYSA-N
XLogP3.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4081142) is 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is AZFQVQKMJIYNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-11(2)21-9-8-13-14(10-21)24-18(15(13)16(19)22)20-17(23)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4081142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).