N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide

C17H19ClN2O4S2 — CID 7268587

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4S2/c1-11(2)20-17(22)16(21)19-10-15(14-4-3-9-25-14)26(23,24)13-7-5-12(18)6-8-13/h3-9,11,15H,10H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyDHZDOSURGXDJQP-HNNXBMFYSA-N
MW414.94 g/mol
LogP2.56
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide (PubChem CID 7268587) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
PubChem CID7268587
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4S2/c1-11(2)20-17(22)16(21)19-10-15(14-4-3-9-25-14)26(23,24)13-7-5-12(18)6-8-13/h3-9,11,15H,10H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyDHZDOSURGXDJQP-HNNXBMFYSA-N
XLogP2.56
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide (CID 7268587) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide?
The InChIKey is DHZDOSURGXDJQP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c1-11(2)20-17(22)16(21)19-10-15(14-4-3-9-25-14)26(23,24)13-7-5-12(18)6-8-13/h3-9,11,15H,10H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide has a molecular weight of 414.94 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 7268587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).