N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride

C16H20Cl2N2OS — CID 47021684

IUPACN-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(CNCc2ccc(Cl)s2)c1.Cl
InChIInChI=1S/C16H19ClN2OS.ClH/c1-11(2)16(20)19-13-5-3-4-12(8-13)9-18-10-14-6-7-15(17)21-14;/h3-8,11,18H,9-10H2,1-2H3,(H,19,20);1H
InChIKeyMDYQPTPTGNHTLB-UHFFFAOYSA-N
MW359.32 g/mol
LogP4.71
Rot. Bonds6

About N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride

N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride (PubChem CID 47021684) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride
PubChem CID47021684
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC NameN-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(CNCc2ccc(Cl)s2)c1.Cl
InChIInChI=1S/C16H19ClN2OS.ClH/c1-11(2)16(20)19-13-5-3-4-12(8-13)9-18-10-14-6-7-15(17)21-14;/h3-8,11,18H,9-10H2,1-2H3,(H,19,20);1H
InChIKeyMDYQPTPTGNHTLB-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 54898237
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
CID 119438218
N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
CID 57199320
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride (CID 47021684) is N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1cccc(CNCc2ccc(Cl)s2)c1.Cl.
What is the InChIKey of N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is MDYQPTPTGNHTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS.ClH/c1-11(2)16(20)19-13-5-3-4-12(8-13)9-18-10-14-6-7-15(17)21-14;/h3-8,11,18H,9-10H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 359.32 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 47021684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).