N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide

C14H20N2OS — CID 79942728

IUPACN-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C14H20N2OS/c1-3-15-14(17)11-4-6-12(7-5-11)16-13-8-10(2)18-9-13/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyVZFRYTSFSMXVTQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide

N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide (PubChem CID 79942728) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
PubChem CID79942728
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C14H20N2OS/c1-3-15-14(17)11-4-6-12(7-5-11)16-13-8-10(2)18-9-13/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyVZFRYTSFSMXVTQ-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941718
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
CID 79942281
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one
CID 79950791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide?
The IUPAC name of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide (CID 79942728) is N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide?
The canonical SMILES for N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide is CCNC(=O)c1ccc(NC2CSC(C)C2)cc1.
What is the InChIKey of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide?
The InChIKey is VZFRYTSFSMXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-15-14(17)11-4-6-12(7-5-11)16-13-8-10(2)18-9-13/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide?
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide is sourced from PubChem (CID 79942728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).