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

C18H28ClN3O2S — CID 16806371

IUPAC2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/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);1H
InChIKeyHYSMVQBUWZHOKK-UHFFFAOYSA-N
MW385.96 g/mol
LogP3.55
Rot. Bonds4

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

2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806371) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806371
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC Name2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/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);1H
InChIKeyHYSMVQBUWZHOKK-UHFFFAOYSA-N
XLogP3.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 53.55
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;hydrochloride?
The IUPAC name of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806371) is 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is HYSMVQBUWZHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.ClH/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);1H.
What are the key properties of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 385.96 g/mol, XLogP of 3.55, 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;hydrochloride is sourced from PubChem (CID 16806371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).