N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride

C18H24ClN3O3S2 — CID 60594688

IUPACN-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)s1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-14(22)19-12-16-8-9-18(25-16)26(23,24)21-11-10-20(2)13-17(21)15-6-4-3-5-7-15;/h3-9,17H,10-13H2,1-2H3,(H,19,22);1H
InChIKeyMSABFLXIGVKRBZ-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.48
Rot. Bonds5

About N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride

N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 60594688) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID60594688
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)s1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-14(22)19-12-16-8-9-18(25-16)26(23,24)21-11-10-20(2)13-17(21)15-6-4-3-5-7-15;/h3-9,17H,10-13H2,1-2H3,(H,19,22);1H
InChIKeyMSABFLXIGVKRBZ-UHFFFAOYSA-N
XLogP2.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 34102952
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
2-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454190
N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 55355371
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
CID 31765455
N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 120778263
(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
CID 52522518

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride (CID 60594688) is N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)s1.Cl.
What is the InChIKey of N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is MSABFLXIGVKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-14(22)19-12-16-8-9-18(25-16)26(23,24)21-11-10-20(2)13-17(21)15-6-4-3-5-7-15;/h3-9,17H,10-13H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride?
N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 60594688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).