2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

C20H27N5O5S2 — CID 20927520

IUPAC2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)nc1
InChIInChI=1S/C20H27N5O5S2/c1-16-6-7-19(21-12-16)22-20(26)15-23-13-17(31(27,28)24-8-2-3-9-24)18(14-23)32(29,30)25-10-4-5-11-25/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,21,22,26)
InChIKeyXVMRHHUFQPJZHS-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.40
Rot. Bonds7

About 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 20927520) has the molecular formula C20H27N5O5S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID20927520
Molecular FormulaC20H27N5O5S2
Molecular Weight481.60 g/mol
Exact Mass481.15
IUPAC Name2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)nc1
InChIInChI=1S/C20H27N5O5S2/c1-16-6-7-19(21-12-16)22-20(26)15-23-13-17(31(27,28)24-8-2-3-9-24)18(14-23)32(29,30)25-10-4-5-11-25/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,21,22,26)
InChIKeyXVMRHHUFQPJZHS-UHFFFAOYSA-N
XLogP1.40
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N-(5-methyl-2-pyridinyl)propanamide
CID 47091011
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2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 98385049
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (CID 20927520) is 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)nc1.
What is the InChIKey of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is XVMRHHUFQPJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S2/c1-16-6-7-19(21-12-16)22-20(26)15-23-13-17(31(27,28)24-8-2-3-9-24)18(14-23)32(29,30)25-10-4-5-11-25/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,21,22,26).
What are the key properties of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 20927520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).