N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C17H20ClN3O4S2 — CID 2655774

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl
InChIInChI=1S/C17H20ClN3O4S2/c1-25-15-5-4-13(11-14(15)18)19-16(22)12-20-6-8-21(9-7-20)27(23,24)17-3-2-10-26-17/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)
InChIKeyRJXVKBLHTOBXCH-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.36
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2655774) has the molecular formula C17H20ClN3O4S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2655774
Molecular FormulaC17H20ClN3O4S2
Molecular Weight429.95 g/mol
Exact Mass429.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl
InChIInChI=1S/C17H20ClN3O4S2/c1-25-15-5-4-13(11-14(15)18)19-16(22)12-20-6-8-21(9-7-20)27(23,24)17-3-2-10-26-17/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)
InChIKeyRJXVKBLHTOBXCH-UHFFFAOYSA-N
XLogP2.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965468
2-[2-Chloro-N-(3-chloro-4-methoxyphenyl)acetamido]-N-cyclohexyl-2-(thiophen-2-YL)acetamide
CID 5062094
(2S)-4-(2-chloroacetyl)-N-(4-methoxyphenyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423201
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108099
2-[3-chloro-4-methoxy(phenylsulfonyl)anilino]-N-{3-[methyl(methylsulfonyl)amino]phenyl}acetamide
CID 1210673
N-(3-chloro-4-methoxyphenyl)-N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331482
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2193164
N-(3-chloro-4-methoxyphenyl)-2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}acetamide
CID 2264774
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
N~1~-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3242229
N~1~-(4-ethoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3243492
N-(3-chloro-4-methoxyphenyl)-2-{4-[(4-methoxyphenyl)sulfonyl]-1,4-diazepan-1-yl}acetamide
CID 3244475

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 2655774) is N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is RJXVKBLHTOBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S2/c1-25-15-5-4-13(11-14(15)18)19-16(22)12-20-6-8-21(9-7-20)27(23,24)17-3-2-10-26-17/h2-5,10-11H,6-9,12H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 429.95 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2655774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).