N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

C18H26N4O2S — CID 119659056

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCc1noc(CSc2ccccc2C(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C18H26N4O2S/c1-12(2)15(19)9-10-22(4)18(23)14-7-5-6-8-16(14)25-11-17-20-13(3)21-24-17/h5-8,12,15H,9-11,19H2,1-4H3
InChIKeyUJPADAJMQQKWCV-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.12
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (PubChem CID 119659056) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
PubChem CID119659056
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCc1noc(CSc2ccccc2C(=O)N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C18H26N4O2S/c1-12(2)15(19)9-10-22(4)18(23)14-7-5-6-8-16(14)25-11-17-20-13(3)21-24-17/h5-8,12,15H,9-11,19H2,1-4H3
InChIKeyUJPADAJMQQKWCV-UHFFFAOYSA-N
XLogP3.12
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (CID 119659056) is N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is Cc1noc(CSc2ccccc2C(=O)N(C)CCC(N)C(C)C)n1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is UJPADAJMQQKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(2)15(19)9-10-22(4)18(23)14-7-5-6-8-16(14)25-11-17-20-13(3)21-24-17/h5-8,12,15H,9-11,19H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 362.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 119659056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).