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

C14H22N2O3S2 — CID 2566033

IUPACN-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-14(2,3)15-12(17)10-11-6-7-13(20-11)21(18,19)16-8-4-5-9-16/h6-7H,4-5,8-10H2,1-3H3,(H,15,17)
InChIKeyBZUOSVLDCCQCLI-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.99
Rot. Bonds4

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

N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2566033) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2566033
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-14(2,3)15-12(17)10-11-6-7-13(20-11)21(18,19)16-8-4-5-9-16/h6-7H,4-5,8-10H2,1-3H3,(H,15,17)
InChIKeyBZUOSVLDCCQCLI-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2084509
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893
N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502783
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24981039
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-thiophen-2-ylacetamide
CID 42915503
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068796
N-[2-[5-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068797
N-[2-[5-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068798
N-[2-[5-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068801
N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 51108780
5-(2-(2,2-Dimethylpropanamido)ethyl)thiophene-2-sulfonyl chloride
CID 24688786
5-[2-(3-Methylbutanamido)ethyl]thiophene-2-sulfonyl chloride
CID 24688936

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 2566033) is N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is BZUOSVLDCCQCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-14(2,3)15-12(17)10-11-6-7-13(20-11)21(18,19)16-8-4-5-9-16/h6-7H,4-5,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).