N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide

C17H17BrN2O3S2 — CID 166404803

IUPACN-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1cccc(Br)c1)c1scnc1C1CCCC1
InChIInChI=1S/C17H17BrN2O3S2/c18-14-7-3-4-12(10-14)8-9-25(22,23)20-17(21)16-15(19-11-24-16)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,21)/b9-8+
InChIKeyHHTKBBKIUINIGY-CMDGGOBGSA-N
MW441.37 g/mol
LogP4.29
Rot. Bonds5

About N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide

N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide (PubChem CID 166404803) has the molecular formula C17H17BrN2O3S2 and a molecular weight of 441.37 g/mol. Its IUPAC name is N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide
PubChem CID166404803
Molecular FormulaC17H17BrN2O3S2
Molecular Weight441.37 g/mol
Exact Mass439.99
IUPAC NameN-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1cccc(Br)c1)c1scnc1C1CCCC1
InChIInChI=1S/C17H17BrN2O3S2/c18-14-7-3-4-12(10-14)8-9-25(22,23)20-17(21)16-15(19-11-24-16)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,21)/b9-8+
InChIKeyHHTKBBKIUINIGY-CMDGGOBGSA-N
XLogP4.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 99783513
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-2-(3-bromophenyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenesulfonamide
CID 128999181
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 122141772
4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
CID 68978371
4-bromo-3,5-dimethoxy-N-[(E)-2-phenylethenyl]sulfonylbenzamide
CID 75403969
N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide
CID 127265568
[2-(cyclohexylamino)-2-oxoethyl] 3-(3-bromophenyl)prop-2-enoate
CID 4802335
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
CID 33301734
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide (CID 166404803) is N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide is O=C(NS(=O)(=O)/C=C/c1cccc(Br)c1)c1scnc1C1CCCC1.
What is the InChIKey of N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The InChIKey is HHTKBBKIUINIGY-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H17BrN2O3S2/c18-14-7-3-4-12(10-14)8-9-25(22,23)20-17(21)16-15(19-11-24-16)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,21)/b9-8+.
What are the key properties of N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide?
N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide has a molecular weight of 441.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166404803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).