N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C15H15BrN2O4S2 — CID 2993589

IUPACN-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C15H15BrN2O4S2/c16-11-2-1-3-12(8-11)17-15(19)14-9-13(10-23-14)24(20,21)18-4-6-22-7-5-18/h1-3,8-10H,4-7H2,(H,17,19)
InChIKeyPHYFCQBYNXKZKN-UHFFFAOYSA-N
MW431.33 g/mol
LogP2.78
Rot. Bonds4

About N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 2993589) has the molecular formula C15H15BrN2O4S2 and a molecular weight of 431.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID2993589
Molecular FormulaC15H15BrN2O4S2
Molecular Weight431.33 g/mol
Exact Mass429.97
IUPAC NameN-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C15H15BrN2O4S2/c16-11-2-1-3-12(8-11)17-15(19)14-9-13(10-23-14)24(20,21)18-4-6-22-7-5-18/h1-3,8-10H,4-7H2,(H,17,19)
InChIKeyPHYFCQBYNXKZKN-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Fluorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1238883
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1312252
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
N-(4-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1117949
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 1247700
4-(morpholin-4-ylsulfonyl)-N-(3-nitrophenyl)thiophene-2-carboxamide
CID 2245780
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2414996
4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 2563684
3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25161927
N-(2-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 2996647
4-(Morpholine-4-sulfonyl)-thiophene-2-carboxylic acid o-tolylamide
CID 646420

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 2993589) is N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is O=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is PHYFCQBYNXKZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S2/c16-11-2-1-3-12(8-11)17-15(19)14-9-13(10-23-14)24(20,21)18-4-6-22-7-5-18/h1-3,8-10H,4-7H2,(H,17,19).
What are the key properties of N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2993589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).