2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C19H24N2O6S2 — CID 36672065

IUPAC2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-15-10-13(11-16(26-2)19(15)27-3)20-17(22)12-14-6-7-18(28-14)29(23,24)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,20,22)
InChIKeyBAZJPAQMSNETCT-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.74
Rot. Bonds8

About 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 36672065) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID36672065
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-15-10-13(11-16(26-2)19(15)27-3)20-17(22)12-14-6-7-18(28-14)29(23,24)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,20,22)
InChIKeyBAZJPAQMSNETCT-UHFFFAOYSA-N
XLogP2.74
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55595327
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55596173
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811
N-(2-butoxy-5-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35366410
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55888632

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 36672065) is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc(OC)c1OC.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is BAZJPAQMSNETCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-25-15-10-13(11-16(26-2)19(15)27-3)20-17(22)12-14-6-7-18(28-14)29(23,24)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 440.54 g/mol, XLogP of 2.74, 8 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-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 36672065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).