N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide

C19H26N2OS2 — CID 119659075

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C19H26N2OS2/c1-14(2)17(20)10-11-21(3)19(22)16-8-4-5-9-18(16)24-13-15-7-6-12-23-15/h4-9,12,14,17H,10-11,13,20H2,1-3H3
InChIKeyJLWKBRNBISGFEO-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.49
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 119659075) has the molecular formula C19H26N2OS2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID119659075
Molecular FormulaC19H26N2OS2
Molecular Weight362.56 g/mol
Exact Mass362.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C19H26N2OS2/c1-14(2)17(20)10-11-21(3)19(22)16-8-4-5-9-18(16)24-13-15-7-6-12-23-15/h4-9,12,14,17H,10-11,13,20H2,1-3H3
InChIKeyJLWKBRNBISGFEO-UHFFFAOYSA-N
XLogP4.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 119659056
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 81490839
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 119659075) is N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide is CC(C)C(N)CCN(C)C(=O)c1ccccc1SCc1cccs1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is JLWKBRNBISGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS2/c1-14(2)17(20)10-11-21(3)19(22)16-8-4-5-9-18(16)24-13-15-7-6-12-23-15/h4-9,12,14,17H,10-11,13,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 362.56 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 119659075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).