N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide

C17H22N2OS — CID 43677299

IUPACN-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C17H22N2OS/c1-5-17(20)19-14-8-6-11(2)15(10-14)18-13(4)16-9-7-12(3)21-16/h6-10,13,18H,5H2,1-4H3,(H,19,20)
InChIKeyJCPOLZQLKSRKJS-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.89
Rot. Bonds5

About N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide

N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide (PubChem CID 43677299) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
PubChem CID43677299
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C17H22N2OS/c1-5-17(20)19-14-8-6-11(2)15(10-14)18-13(4)16-9-7-12(3)21-16/h6-10,13,18H,5H2,1-4H3,(H,19,20)
InChIKeyJCPOLZQLKSRKJS-UHFFFAOYSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
CID 61000928
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide (CID 43677299) is N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(C)c2ccc(C)s2)c1.
What is the InChIKey of N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide?
The InChIKey is JCPOLZQLKSRKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-5-17(20)19-14-8-6-11(2)15(10-14)18-13(4)16-9-7-12(3)21-16/h6-10,13,18H,5H2,1-4H3,(H,19,20).
What are the key properties of N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide?
N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide has a molecular weight of 302.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 43677299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).