N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C17H26N2O3S — CID 4883868

IUPACN-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H26N2O3S/c1-23-11-9-14(19-17(21)15-8-5-10-22-15)16(20)18-12-13-6-3-2-4-7-13/h5,8,10,13-14H,2-4,6-7,9,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyLVQDYMFVZWVCCT-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.83
Rot. Bonds8

About N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 4883868) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID4883868
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H26N2O3S/c1-23-11-9-14(19-17(21)15-8-5-10-22-15)16(20)18-12-13-6-3-2-4-7-13/h5,8,10,13-14H,2-4,6-7,9,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyLVQDYMFVZWVCCT-UHFFFAOYSA-N
XLogP2.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 4883868) is N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)C(=O)NCC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is LVQDYMFVZWVCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-23-11-9-14(19-17(21)15-8-5-10-22-15)16(20)18-12-13-6-3-2-4-7-13/h5,8,10,13-14H,2-4,6-7,9,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4883868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).