N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C14H22N2O3S2 — CID 51155075

IUPACN-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-2-3-8-15-13(17)11-12-6-7-14(20-12)21(18,19)16-9-4-5-10-16/h6-7H,2-5,8-11H2,1H3,(H,15,17)
InChIKeyHHARASYPNZCYBE-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.99
Rot. Bonds7

About N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 51155075) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID51155075
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-2-3-8-15-13(17)11-12-6-7-14(20-12)21(18,19)16-9-4-5-10-16/h6-7H,2-5,8-11H2,1H3,(H,15,17)
InChIKeyHHARASYPNZCYBE-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33139402
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
1-butyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111038573
1-butyl-3-ethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111149835

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 51155075) is N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is HHARASYPNZCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-2-3-8-15-13(17)11-12-6-7-14(20-12)21(18,19)16-9-4-5-10-16/h6-7H,2-5,8-11H2,1H3,(H,15,17).
What are the key properties of N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 51155075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).