5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

C17H20ClN3O2S — CID 95122907

IUPAC5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1
InChIInChI=1S/C17H20ClN3O2S/c1-11(22)20-12-6-7-14(18)13(9-12)17(23)19-10-15(21(2)3)16-5-4-8-24-16/h4-9,15H,10H2,1-3H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyVLSHRZHZLLKBNZ-HNNXBMFYSA-N
MW365.89 g/mol
LogP3.39
Rot. Bonds6

About 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 95122907) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
PubChem CID95122907
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1
InChIInChI=1S/C17H20ClN3O2S/c1-11(22)20-12-6-7-14(18)13(9-12)17(23)19-10-15(21(2)3)16-5-4-8-24-16/h4-9,15H,10H2,1-3H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyVLSHRZHZLLKBNZ-HNNXBMFYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
CID 51118835
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylfuran-3-carboxamide
CID 35058132
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
CID 78772713
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (CID 95122907) is 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1.
What is the InChIKey of 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is VLSHRZHZLLKBNZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11(22)20-12-6-7-14(18)13(9-12)17(23)19-10-15(21(2)3)16-5-4-8-24-16/h4-9,15H,10H2,1-3H3,(H,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 365.89 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 95122907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).