N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide

C14H20N2OS — CID 102671123

IUPACN-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCSC2C)cc1
InChIInChI=1S/C14H20N2OS/c1-3-14(17)16-12-6-4-11(5-7-12)15-13-8-9-18-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyLJRGOINFQMQXTN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide

N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide (PubChem CID 102671123) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide
PubChem CID102671123
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCSC2C)cc1
InChIInChI=1S/C14H20N2OS/c1-3-14(17)16-12-6-4-11(5-7-12)15-13-8-9-18-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyLJRGOINFQMQXTN-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(2-methylthiolan-3-yl)amino]phenyl]carbamate
CID 102671163
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
3-[4-[(2-methylthiolan-3-yl)amino]phenoxy]propanamide
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N-[4-(cyclohexylamino)phenyl]propanamide
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N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
CID 102671016
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
N-[4-[(2-methylthian-3-yl)amino]phenyl]methanesulfonamide
CID 79957384
2-(methylamino)-N-(2-methylthiolan-3-yl)acetamide
CID 130648498

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide?
The IUPAC name of N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide (CID 102671123) is N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide?
The canonical SMILES for N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC2CCSC2C)cc1.
What is the InChIKey of N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide?
The InChIKey is LJRGOINFQMQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-14(17)16-12-6-4-11(5-7-12)15-13-8-9-18-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide?
N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide is sourced from PubChem (CID 102671123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).