N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H17ClN2O3S2 — CID 7012502

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17ClN2O3S2/c1-18(23(20,21)15-3-2-10-22-15)11-14(19)17-9-8-12-4-6-13(16)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,17,19)
InChIKeySBKJPUFBUVSEQU-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.38
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 7012502) has the molecular formula C15H17ClN2O3S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID7012502
Molecular FormulaC15H17ClN2O3S2
Molecular Weight372.90 g/mol
Exact Mass372.04
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17ClN2O3S2/c1-18(23(20,21)15-3-2-10-22-15)11-14(19)17-9-8-12-4-6-13(16)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,17,19)
InChIKeySBKJPUFBUVSEQU-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 7012502) is N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is SBKJPUFBUVSEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S2/c1-18(23(20,21)15-3-2-10-22-15)11-14(19)17-9-8-12-4-6-13(16)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 372.90 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 7012502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).