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

C19H27N3O2S2 — CID 42389169

IUPAC5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C19H27N3O2S2/c1-2-18-9-10-19(25-18)26(23,24)20-11-6-12-21-13-15-22(16-14-21)17-7-4-3-5-8-17/h3-5,7-10,20H,2,6,11-16H2,1H3
InChIKeyKRNHKHVXOLPDLN-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.80
Rot. Bonds8

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

5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 42389169) has the molecular formula C19H27N3O2S2 and a molecular weight of 393.58 g/mol. Its IUPAC name is 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID42389169
Molecular FormulaC19H27N3O2S2
Molecular Weight393.58 g/mol
Exact Mass393.15
IUPAC Name5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C19H27N3O2S2/c1-2-18-9-10-19(25-18)26(23,24)20-11-6-12-21-13-15-22(16-14-21)17-7-4-3-5-8-17/h3-5,7-10,20H,2,6,11-16H2,1H3
InChIKeyKRNHKHVXOLPDLN-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.80
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-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389179
4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 50835113
5-ethyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]thiophene-2-sulfonamide
CID 51866730
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225
N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42389145
5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 90619991
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 110287224

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (CID 42389169) is 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is KRNHKHVXOLPDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S2/c1-2-18-9-10-19(25-18)26(23,24)20-11-6-12-21-13-15-22(16-14-21)17-7-4-3-5-8-17/h3-5,7-10,20H,2,6,11-16H2,1H3.
What are the key properties of 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 393.58 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42389169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).