2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide

C14H20N2OS — CID 43683733

IUPAC2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CCSC2)cc1
InChIInChI=1S/C14H20N2OS/c1-10(2)14(17)16-12-5-3-11(4-6-12)15-13-7-8-18-9-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyOERAMGHOQWVEPU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide

2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide (PubChem CID 43683733) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
PubChem CID43683733
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CCSC2)cc1
InChIInChI=1S/C14H20N2OS/c1-10(2)14(17)16-12-5-3-11(4-6-12)15-13-7-8-18-9-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyOERAMGHOQWVEPU-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(5,5-dimethylthian-3-yl)amino]phenyl]-2-methylpropanamide
CID 79953478
N-[4-[(4,4-dimethylthian-3-yl)amino]phenyl]-2-methylpropanamide
CID 79954643
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 75476798
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
CID 62873267
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
[(2S)-2-methylpiperidin-1-yl]-[4-[[(3R)-thiolan-3-yl]amino]phenyl]methanone
CID 100706454
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 26907180
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide (CID 43683733) is 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC2CCSC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide?
The InChIKey is OERAMGHOQWVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)14(17)16-12-5-3-11(4-6-12)15-13-7-8-18-9-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide?
2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide has a molecular weight of 264.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide is sourced from PubChem (CID 43683733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).