N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C12H18N2O3S2 — CID 2386427

IUPACN,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C12H18N2O3S2/c1-13(2)11(15)9-10-5-6-12(18-10)19(16,17)14-7-3-4-8-14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyNYMUBARNWUEIOA-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.16
Rot. Bonds4

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

N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2386427) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2386427
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C12H18N2O3S2/c1-13(2)11(15)9-10-5-6-12(18-10)19(16,17)14-7-3-4-8-14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyNYMUBARNWUEIOA-UHFFFAOYSA-N
XLogP1.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Methylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 1246104
N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2084509
N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2566033
1-Morpholin-4-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 2365878
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893
1-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-2-(thiophen-2-yl)ethanone
CID 49677274
1-(4-(Methylsulfonyl)piperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 71805647
1-(3-(Cyclohexylsulfonyl)azetidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 76148693
1-[3-(1-Methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]-2-(thiophen-2-YL)ethan-1-one
CID 91910269
1-[(R)-2-[(phenylsulfonyl)methyl]-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone
CID 97551202
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133885
N-(cyclopropylmethyl)-N-propyl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47331732

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 2386427) is N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is NYMUBARNWUEIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-13(2)11(15)9-10-5-6-12(18-10)19(16,17)14-7-3-4-8-14/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2386427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).