N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C17H19BrN2O4S2 — CID 55456444

IUPACN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O4S2/c1-12(13-2-4-14(18)5-3-13)19-17(21)16-15(6-11-25-16)26(22,23)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,21)
InChIKeyLCYLYZJMFYZGLD-UHFFFAOYSA-N
MW459.39 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 55456444) has the molecular formula C17H19BrN2O4S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID55456444
Molecular FormulaC17H19BrN2O4S2
Molecular Weight459.39 g/mol
Exact Mass458.00
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O4S2/c1-12(13-2-4-14(18)5-3-13)19-17(21)16-15(6-11-25-16)26(22,23)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,21)
InChIKeyLCYLYZJMFYZGLD-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60618882
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 91769681
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55510466
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 55456444) is N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is CC(NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is LCYLYZJMFYZGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S2/c1-12(13-2-4-14(18)5-3-13)19-17(21)16-15(6-11-25-16)26(22,23)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 459.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55456444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).