2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide

C17H18Cl2N2O3S2 — CID 26061260

IUPAC2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C17H18Cl2N2O3S2/c18-14-5-3-12(9-15(14)19)10-16(22)20-11-13-4-6-17(25-13)26(23,24)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10-11H2,(H,20,22)
InChIKeyTUHSHXSRGVIRDO-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.70
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide

2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide (PubChem CID 26061260) has the molecular formula C17H18Cl2N2O3S2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
PubChem CID26061260
Molecular FormulaC17H18Cl2N2O3S2
Molecular Weight433.38 g/mol
Exact Mass432.01
IUPAC Name2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C17H18Cl2N2O3S2/c18-14-5-3-12(9-15(14)19)10-16(22)20-11-13-4-6-17(25-13)26(23,24)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10-11H2,(H,20,22)
InChIKeyTUHSHXSRGVIRDO-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
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2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
3-(4-ethylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 32752038
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55595327
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55596173
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
CID 16602108
N-[1-(3,4-dichlorophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55335869

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide (CID 26061260) is 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
The InChIKey is TUHSHXSRGVIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S2/c18-14-5-3-12(9-15(14)19)10-16(22)20-11-13-4-6-17(25-13)26(23,24)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10-11H2,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide has a molecular weight of 433.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 26061260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).