N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide

C18H23ClN2O2S — CID 124849999

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide
SMILESCOC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C18H23ClN2O2S/c1-21(12-18(22)20-11-16-8-9-17(19)24-16)15(13-23-2)10-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPWBRBEOELLSCKV-HNNXBMFYSA-N
MW366.91 g/mol
LogP3.21
Rot. Bonds9

About N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide (PubChem CID 124849999) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide
PubChem CID124849999
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide
SMILESCOC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C18H23ClN2O2S/c1-21(12-18(22)20-11-16-8-9-17(19)24-16)15(13-23-2)10-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPWBRBEOELLSCKV-HNNXBMFYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide
CID 78875952
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 56826094
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
CID 81082349
N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 111544047
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 78899137
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
CID 63761523

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide (CID 124849999) is N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide is COC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide?
The InChIKey is PWBRBEOELLSCKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-21(12-18(22)20-11-16-8-9-17(19)24-16)15(13-23-2)10-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide has a molecular weight of 366.91 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 124849999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).