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

C18H27ClN3O2S- — CID 53313254

IUPAC2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
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/p-1
InChIKeyHYSMVQBUWZHOKK-UHFFFAOYSA-M
MW384.95 g/mol
LogP0.14
Rot. Bonds4

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

2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (PubChem CID 53313254) has the molecular formula C18H27ClN3O2S- and a molecular weight of 384.95 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
PubChem CID53313254
Molecular FormulaC18H27ClN3O2S-
Molecular Weight384.95 g/mol
Exact Mass384.15
IUPAC Name2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
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/p-1
InChIKeyHYSMVQBUWZHOKK-UHFFFAOYSA-M
XLogP0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 50.14
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 chloride?
The IUPAC name of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (CID 53313254) is 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride 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 chloride?
The InChIKey is HYSMVQBUWZHOKK-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?
2-(cyclohexanecarbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride has a molecular weight of 384.95 g/mol, XLogP of 0.14, 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 chloride is sourced from PubChem (CID 53313254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).