N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide

C16H19ClN2O3S2 — CID 113067070

IUPACN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S2/c1-24(21,22)19(12-13-4-6-14(17)7-5-13)9-8-18-16(20)11-15-3-2-10-23-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyBBFSNTILZSWTIO-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.52
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide

N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113067070) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID113067070
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC NameN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S2/c1-24(21,22)19(12-13-4-6-14(17)7-5-13)9-8-18-16(20)11-15-3-2-10-23-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyBBFSNTILZSWTIO-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113070097
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
CID 113067081
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide (CID 113067070) is N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide is CS(=O)(=O)N(CCNC(=O)Cc1cccs1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BBFSNTILZSWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-24(21,22)19(12-13-4-6-14(17)7-5-13)9-8-18-16(20)11-15-3-2-10-23-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 386.93 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113067070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).