2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide

C17H21N3O3S2 — CID 56912274

IUPAC2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide
SMILESCc1ccccc1CN1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1
InChIInChI=1S/C17H21N3O3S2/c1-13-4-2-3-5-14(13)12-19-7-9-20(10-8-19)17(21)16-15(6-11-24-16)25(18,22)23/h2-6,11H,7-10,12H2,1H3,(H2,18,22,23)
InChIKeyOOMWUYXUGVMZGJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide

2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide (PubChem CID 56912274) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide
PubChem CID56912274
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide
SMILESCc1ccccc1CN1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1
InChIInChI=1S/C17H21N3O3S2/c1-13-4-2-3-5-14(13)12-19-7-9-20(10-8-19)17(21)16-15(6-11-24-16)25(18,22)23/h2-6,11H,7-10,12H2,1H3,(H2,18,22,23)
InChIKeyOOMWUYXUGVMZGJ-UHFFFAOYSA-N
XLogP1.66
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
(E)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 8641945
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
(4,5-dibromothiophen-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325654
N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30868024
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
CID 34742958
N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8641874
4-[1-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]ethyl]benzenesulfonamide
CID 55409136
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide (CID 56912274) is 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide is Cc1ccccc1CN1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1.
What is the InChIKey of 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide?
The InChIKey is OOMWUYXUGVMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13-4-2-3-5-14(13)12-19-7-9-20(10-8-19)17(21)16-15(6-11-24-16)25(18,22)23/h2-6,11H,7-10,12H2,1H3,(H2,18,22,23).
What are the key properties of 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide?
2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide is sourced from PubChem (CID 56912274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).