5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide

C18H25N3O2S2 — CID 112502723

IUPAC5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)s1
InChIInChI=1S/C18H25N3O2S2/c1-14(2)20-10-12-21(13-11-20)17-7-5-16(6-8-17)19-25(22,23)18-9-4-15(3)24-18/h4-9,14,19H,10-13H2,1-3H3
InChIKeyGSAIVEPRRYNCCG-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.39
Rot. Bonds5

About 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 112502723) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID112502723
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)s1
InChIInChI=1S/C18H25N3O2S2/c1-14(2)20-10-12-21(13-11-20)17-7-5-16(6-8-17)19-25(22,23)18-9-4-15(3)24-18/h4-9,14,19H,10-13H2,1-3H3
InChIKeyGSAIVEPRRYNCCG-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide
CID 136525099
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011286
N-[4-(benzimidazol-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
CID 55382208
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 42268041
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide (CID 112502723) is 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)s1.
What is the InChIKey of 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is GSAIVEPRRYNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-14(2)20-10-12-21(13-11-20)17-7-5-16(6-8-17)19-25(22,23)18-9-4-15(3)24-18/h4-9,14,19H,10-13H2,1-3H3.
What are the key properties of 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 379.55 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112502723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).