2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide

C15H16ClNO3S2 — CID 78793964

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO3S2/c1-2-17(12-6-4-3-5-7-12)15(18)11-22(19,20)10-13-8-9-14(16)21-13/h3-9H,2,10-11H2,1H3
InChIKeyZPTGKCQQEYBOEX-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.37
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide

2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide (PubChem CID 78793964) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
PubChem CID78793964
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO3S2/c1-2-17(12-6-4-3-5-7-12)15(18)11-22(19,20)10-13-8-9-14(16)21-13/h3-9H,2,10-11H2,1H3
InChIKeyZPTGKCQQEYBOEX-UHFFFAOYSA-N
XLogP3.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N1-{2-[(4-chlorophenyl)sulfonyl]ethyl}-N1-(2-thienylmethyl)acetamide
CID 2820311
N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
2-(3-chlorobenzenesulfonyl)-N-methyl-N-phenylacetamide
CID 1488248
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 7359928
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987762
2-bromo-N-(2,5-dichlorothiophen-3-ylsulfonyl)-N-phenylacetamide
CID 49798556
N-(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)acetamide
CID 893603
[4-(4-Chlorophenyl)-2-thiophen-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013348
[4-(3-Chlorophenyl)-2-thiophen-2-ylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013355
N-(4-chlorophenyl)-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-thiophenecarboxamide
CID 2982560
N-(4-chlorophenyl)-N-(1,1-dioxido-2,3-dihydrothien-3-yl)-2-thien-2-ylacetamide
CID 3241297
2-(4-Chlorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 7177736

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide (CID 78793964) is 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
The InChIKey is ZPTGKCQQEYBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c1-2-17(12-6-4-3-5-7-12)15(18)11-22(19,20)10-13-8-9-14(16)21-13/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide?
2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide has a molecular weight of 357.88 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfonyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 78793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).