N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C17H25N5O3S2 — CID 60608073

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)CCn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1
InChIInChI=1S/C17H25N5O3S2/c1-20(2)11-12-21-10-7-15(19-21)18-16(23)13-14-5-6-17(26-14)27(24,25)22-8-3-4-9-22/h5-7,10H,3-4,8-9,11-13H2,1-2H3,(H,18,19,23)
InChIKeyZIZGBVOHEYRPQM-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.47
Rot. Bonds8

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 60608073) has the molecular formula C17H25N5O3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID60608073
Molecular FormulaC17H25N5O3S2
Molecular Weight411.55 g/mol
Exact Mass411.14
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)CCn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1
InChIInChI=1S/C17H25N5O3S2/c1-20(2)11-12-21-10-7-15(19-21)18-16(23)13-14-5-6-17(26-14)27(24,25)22-8-3-4-9-22/h5-7,10H,3-4,8-9,11-13H2,1-2H3,(H,18,19,23)
InChIKeyZIZGBVOHEYRPQM-UHFFFAOYSA-N
XLogP1.47
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 60608073) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CN(C)CCn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is ZIZGBVOHEYRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S2/c1-20(2)11-12-21-10-7-15(19-21)18-16(23)13-14-5-6-17(26-14)27(24,25)22-8-3-4-9-22/h5-7,10H,3-4,8-9,11-13H2,1-2H3,(H,18,19,23).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 60608073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).