2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide

C18H25N3O2S2 — CID 2738607

IUPAC2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)s1
InChIInChI=1S/C18H25N3O2S2/c1-14-12-18(15(2)24-14)25(22,23)19-13-16-4-6-17(7-5-16)21-10-8-20(3)9-11-21/h4-7,12,19H,8-11,13H2,1-3H3
InChIKeyJEPYDRIKKCWFRT-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.60
Rot. Bonds5

About 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 2738607) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID2738607
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)s1
InChIInChI=1S/C18H25N3O2S2/c1-14-12-18(15(2)24-14)25(22,23)19-13-16-4-6-17(7-5-16)21-10-8-20(3)9-11-21/h4-7,12,19H,8-11,13H2,1-3H3
InChIKeyJEPYDRIKKCWFRT-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

MK6-83
CID 18191179
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
1-Phenyl-4-(2-thienylsulfonyl)piperazine
CID 738300
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
N-Isobutyl-N-[5-(4-methanesulfonylamino-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 71622397
(4-(Dimethylamino)phenyl)(4-(phenylsulfonyl)piperazin-1-yl)methanethione
CID 2146184
N-(2-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 2543765
5-bromo-N-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}thiophene-2-sulfonamide
CID 3239931
4-methyl-N-(1-(4-phenylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 9550484
N-(2-Oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-YL}ethyl)thiophene-2-sulfonamide
CID 16031689
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide (CID 2738607) is 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is JEPYDRIKKCWFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-14-12-18(15(2)24-14)25(22,23)19-13-16-4-6-17(7-5-16)21-10-8-20(3)9-11-21/h4-7,12,19H,8-11,13H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 379.55 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 2738607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).