2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide

C19H25BrN2O3S2 — CID 112827263

IUPAC2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCCN(CC)C(CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C19H25BrN2O3S2/c1-3-22(4-2)18(16-9-10-26-12-16)11-21-19(23)14-27(24,25)13-15-5-7-17(20)8-6-15/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,21,23)
InChIKeyOALVVPYDIUDFMG-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.62
Rot. Bonds10

About 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide

2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide (PubChem CID 112827263) has the molecular formula C19H25BrN2O3S2 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
PubChem CID112827263
Molecular FormulaC19H25BrN2O3S2
Molecular Weight473.46 g/mol
Exact Mass472.05
IUPAC Name2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCCN(CC)C(CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C19H25BrN2O3S2/c1-3-22(4-2)18(16-9-10-26-12-16)11-21-19(23)14-27(24,25)13-15-5-7-17(20)8-6-15/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,21,23)
InChIKeyOALVVPYDIUDFMG-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
CID 60510794
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830337
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 55830901
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
CID 55660187
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 39212841
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide (CID 112827263) is 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide is CCN(CC)C(CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1ccsc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is OALVVPYDIUDFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O3S2/c1-3-22(4-2)18(16-9-10-26-12-16)11-21-19(23)14-27(24,25)13-15-5-7-17(20)8-6-15/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 473.46 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 112827263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).