N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C17H19ClN2O2S — CID 55935786

IUPACN-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C17H19ClN2O2S/c1-11-5-4-6-13(9-11)16(21)19-12(2)17(22)20(3)10-14-7-8-15(18)23-14/h4-9,12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyRRNYMAMORONXGV-LBPRGKRZSA-N
MW350.87 g/mol
LogP3.49
Rot. Bonds5

About N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55935786) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55935786
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C17H19ClN2O2S/c1-11-5-4-6-13(9-11)16(21)19-12(2)17(22)20(3)10-14-7-8-15(18)23-14/h4-9,12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyRRNYMAMORONXGV-LBPRGKRZSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792347
N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792232
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51177345
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112823548
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
3-(chloromethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 43578897

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 55935786) is N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is RRNYMAMORONXGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11-5-4-6-13(9-11)16(21)19-12(2)17(22)20(3)10-14-7-8-15(18)23-14/h4-9,12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 350.87 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55935786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).