2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C19H21N5O3S2 — CID 55908008

IUPAC2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C19H21N5O3S2/c25-18(22-17-6-2-1-5-15(17)12-23-14-20-13-21-23)11-16-7-8-19(28-16)29(26,27)24-9-3-4-10-24/h1-2,5-8,13-14H,3-4,9-12H2,(H,22,25)
InChIKeyFEZAFMBKAQRRCM-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.35
Rot. Bonds7

About 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55908008) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID55908008
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C19H21N5O3S2/c25-18(22-17-6-2-1-5-15(17)12-23-14-20-13-21-23)11-16-7-8-19(28-16)29(26,27)24-9-3-4-10-24/h1-2,5-8,13-14H,3-4,9-12H2,(H,22,25)
InChIKeyFEZAFMBKAQRRCM-UHFFFAOYSA-N
XLogP2.35
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55908279
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311
N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31801318
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46553053
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 34741191
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55461169
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60608073
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 55908008) is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is FEZAFMBKAQRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c25-18(22-17-6-2-1-5-15(17)12-23-14-20-13-21-23)11-16-7-8-19(28-16)29(26,27)24-9-3-4-10-24/h1-2,5-8,13-14H,3-4,9-12H2,(H,22,25).
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55908008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).