2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide

C21H21BrN2O4S2 — CID 15989719

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide
SMILESCCOc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C21H21BrN2O4S2/c1-2-28-18-11-7-6-10-16(18)23-21(25)17(14-15-8-4-3-5-9-15)24-30(26,27)20-13-12-19(22)29-20/h3-13,17,24H,2,14H2,1H3,(H,23,25)
InChIKeyFLOYYMSRUPWQNA-UHFFFAOYSA-N
MW509.45 g/mol
LogP4.44
Rot. Bonds9

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide (PubChem CID 15989719) has the molecular formula C21H21BrN2O4S2 and a molecular weight of 509.45 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide
PubChem CID15989719
Molecular FormulaC21H21BrN2O4S2
Molecular Weight509.45 g/mol
Exact Mass508.01
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide
SMILESCCOc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C21H21BrN2O4S2/c1-2-28-18-11-7-6-10-16(18)23-21(25)17(14-15-8-4-3-5-9-15)24-30(26,27)20-13-12-19(22)29-20/h3-13,17,24H,2,14H2,1H3,(H,23,25)
InChIKeyFLOYYMSRUPWQNA-UHFFFAOYSA-N
XLogP4.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 92656242
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3-phenyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 98194972
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297
2-[(4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 43891455
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 30166236
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(2S)-N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165429
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43889132
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 43890958
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide (CID 15989719) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide is CCOc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide?
The InChIKey is FLOYYMSRUPWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O4S2/c1-2-28-18-11-7-6-10-16(18)23-21(25)17(14-15-8-4-3-5-9-15)24-30(26,27)20-13-12-19(22)29-20/h3-13,17,24H,2,14H2,1H3,(H,23,25).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide has a molecular weight of 509.45 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 15989719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).