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

C16H26N2O3S2 — CID 51156188

IUPACN-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C16H26N2O3S2/c1-2-3-4-5-10-17-15(19)13-14-8-9-16(22-14)23(20,21)18-11-6-7-12-18/h8-9H,2-7,10-13H2,1H3,(H,17,19)
InChIKeyHOLZCTCDRGHQMX-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.77
Rot. Bonds9

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

N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 51156188) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID51156188
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC NameN-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C16H26N2O3S2/c1-2-3-4-5-10-17-15(19)13-14-8-9-16(22-14)23(20,21)18-11-6-7-12-18/h8-9H,2-7,10-13H2,1H3,(H,17,19)
InChIKeyHOLZCTCDRGHQMX-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.77
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-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
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-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
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
1-ethyl-3-pentyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111128601
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

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 51156188) is N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CCCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is HOLZCTCDRGHQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-2-3-4-5-10-17-15(19)13-14-8-9-16(22-14)23(20,21)18-11-6-7-12-18/h8-9H,2-7,10-13H2,1H3,(H,17,19).
What are the key properties of N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 358.53 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 51156188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).