5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

C18H25N3O2S2 — CID 42389179

IUPAC5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H25N3O2S2/c1-16-8-9-18(24-16)25(22,23)19-10-5-11-20-12-14-21(15-13-20)17-6-3-2-4-7-17/h2-4,6-9,19H,5,10-15H2,1H3
InChIKeyCROBYKMEQYZIQV-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.55
Rot. Bonds7

About 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 42389179) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID42389179
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H25N3O2S2/c1-16-8-9-18(24-16)25(22,23)19-10-5-11-20-12-14-21(15-13-20)17-6-3-2-4-7-17/h2-4,6-9,19H,5,10-15H2,1H3
InChIKeyCROBYKMEQYZIQV-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 42268041
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225
4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 50835113
N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42389145
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
2-bromo-4-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530910
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (CID 42389179) is 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is CROBYKMEQYZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-16-8-9-18(24-16)25(22,23)19-10-5-11-20-12-14-21(15-13-20)17-6-3-2-4-7-17/h2-4,6-9,19H,5,10-15H2,1H3.
What are the key properties of 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 379.55 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42389179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).